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Estimation of the ability of the π-system of pseudohalides (azide and thiocyanate) to participate in CH···π interactions in cyclic hetero-tetranuclear cobalt(III)/sodium and linear trinuclear mixed valence cobalt(III/II/III) complexes
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Two new hetero-dinuclear nickel(II)/zinc(II) complexes with compartmental Schiff bases: Synthesis, characterization and self assembly
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Structural speciation in binary-ternary Pb(II)-(di)carboxylato-(aromatic chelator) aqueous systems. Architecture correlations with luminescence properties
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Exploration of Variable Temperature Magnetism and Electrical Properties of a Pyridyl-isonicotinoyl Hydrazone Bridged Three-Dimensional Mn-Metal–Organic Framework with a Thiophene Dicarboxylato Link
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Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium
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Formation of supramolecular hydrogen-bonding chains and networks from copper (II) halogenobenzoates with N-methylnicotinamide: Supramolecular isomerism
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New spiro-oxindole constructed with pyrrolidine/thioxothiazolidin-4-one derivatives: Regioselective synthesis, X-ray crystal structures, Hirshfeld surface analysis, DFT, docking and antimicrobial studies
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Iodide-bridged dinuclear copper(I) complex with cyanopyrazine and its conversion into bis(tetrazolato)copper(II) complex via [3 + 2] cycloaddition: synthesis, structure and self-assembly
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Structural characterization and photoelectrochemistry of coordination polymer of Pb(II)‐naphthyl‐isonicotinohydrazide Schiff base
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Silver(I) complexes of methyl xanthate against human adenocarcinoma breast cancer cells
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A 3D three-fold interpenetrating Zn(II)-based MOF as switch-off fluorescent sensor for antibiotic detection
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A combined experimental and theoretical study of covalent vs noncovalent dimer formation in vanadium(V) complexes with Schiff base ligands
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Effect of the Distant Substituent to Slow Magnetic Relaxation of Pentacoordinate Fe(III) Complexes
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Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity
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New 5-nitrobenzene-1,2,3-tricarboxylate appended Cd(II) MOF: Synthesis and photoluminescent sensing of nitrofurazone (NFZ)
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Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
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Exploring contribution of intermolecular interactions in supramolecular layered assembly of naphthyridine co-crystals: Insights from Hirshfeld surface analysis of their crystalline states
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Probing the effect of isomeric -OH group in heteroleptic Copper(I)-triphenylphosphine appended dithiocarbamates on their electrocatalytic properties for homogeneous hydrogen evolution reactions
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Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors
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Supramolecular assembly in the epiisopiloturine hydrochloride salt
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Highly Nonplanar Macrocyclic Ring Conformation in the Crystal Structures of Ni(II) And Cu(II) Octaphenylporphyrins
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Novel Nanoporous Ti-Phosphonate Metal–Organic Framework for Selective Sensing of 2,4,6-Trinitrophenol and a Promising Electrode in an Energy Storage Device
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Synthesis, Hirshfeld atom refinement of crystal structure, and Hirshfeld surface analysis of 5-ethoxycarbonyl-6-methyl-4-(2-(trifluoromethyl)phenyl)-3,4-dihydropyrimidin-2-(1H)-one formic acid monosolvate
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A combined experimental and computational study of a supramolecular assembly based on cationic zinc(II)-ethanesulfonate
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Synthesis, Crystal Structures, and Molecular Properties of Three Nitro-Substituted Chalcones
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Magnetization Slow Dynamics in Mononuclear Co(II) Field-Induced Single-Molecule Magnet
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Polymorphism in a Symmetrical Dipeptidyl Urea with Z′ > 1
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Insight into the role of pseudo-halides as multiple hydrogen bond acceptors in the formation of supramolecular 1D assembly of di and trinuclear zinc complexes
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Zn(II) complex derived from bidentate Schiff base ligand: Synthesis, characterization, DFT studies and evaluation of anti-inflammatory activity
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Exploration of Supramolecular Architecture in Complexes with 1-Substituted-1H-[1,2,3]-triazole-4-carboxylic Acid: Structural Elucidation and Hirshfeld Surface Analysis
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Spectroscopic properties, crystal structure, Hirshfeld surface analysis and DFT study of a new Cu(II) complex based on quinazolinone O,N,O-donor ligand
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Cocrystals of indole-3-acetic acid and indole-3-butyric acid: Synthesis, structural characterization and Hirshfeld surface analysis
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Studies on CL-20/HMX (2:1) Cocrystal: A New Preparation Method and Structural and Thermokinetic Analysis
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Crystal Structure and Solid-State Properties of 3,4-Diaminopyridine Dihydrogen Phosphate and Their Comparison with Other Diaminopyridine Salts
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Experimental and Theoretical Survey of Intramolecular Spodium Bonds/σ/π-Holes and Noncovalent Interactions in Trinuclear Zn(II)-Salen Type Complex with OCN– Ions: A Holistic View in Crystal Engineering
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In Situ Trans–Cis Isomerization of Naphthylvinylpyridine Ligand in a Zinc(II) Coordination Polymer: Liquid and Vapor Phase Sensing of Mutagenic Pollutants and Nitroexplosives
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The enthralling effect of packing on the light emission of pyridazinone based luminophore: Crystallographic, electronic absorption and computational studies
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New 5‐Bromoisophthalate and 2,5‐Di(pyridin‐4‐yl)phenol Appended Zn(II) Coordination Polymer as Recoverable Turn‐Off–On Photoluminescent Sensor for Hydroxide Anion
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Two new Cd(II)-based coordination polymers derived from flexible linker: Highly sensitive and selective “turn off-on” fluorescent sensors for ferric and dichromate ions
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An analysis of structural, spectroscopic, quantum chemical and in silico studies of ethyl 3-[(pyridin-2-yl)amino]propanoate: A potential thrombin inhibitor
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Crystal structure and optoelectronic properties of a supramolecular chlorobismuthate salt templated with 4-pyridiniumthioamide
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Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates
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Anion Induced Formation of Supramolecular Associations Involving Lone pair−π and Anion−π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies
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Comprehensive in-vitro antibacterial and in-silico anti-viral evaluations of selected fluorinated-quinolone ligands and their Ag/Zn-based coordination polymers
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Molecular salts of 2,6-dihydroxybenzoic acid (2,6-DHB) with N-heterocycles: Crystal structures, spectral properties and Hirshfeld surface analysis
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A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer
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Estimation of non-covalent C H⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly
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Synthesis, characterization and self-assembly of three dicyanamide bridged polynuclear copper(II) complexes with N2O donor tridentate Schiff bases as blocking ligands
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Synthetic, Structural and Supramolecular Features of a New Dithiocyanato-κ-N, κ-S-Copper(II) Complex: Insights Through Computational Studies
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Crystal structure, molecular docking with SARS-CoV-2 receptors, and potential drug property of tetrahedral Zn(II) complexes
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An insight to the spin density distribution and non-covalent interactions in a carboxylate bridged class-I mixed valence cobalt(II),cobalt(III) complex of quadruplet nature
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Synthetic and structural investigations of Cd(II) complexes of tetradentate pyrimidine based Schiff base ligand: Insight through non-covalent interactions, TDDFT calculation and Hirshfeld surface analysis
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Investigation of supramolecular synthons of p-hydroxybenzoic acid (PHBA): Comparison of its hydrate, co-crystal and salt
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Synthesis of a New Chloro Antimony Complex with Pyridinium Derivative: Crystal Structure, Hirshfeld Surface Analysis, Vibrational, and Optical Properties
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Octahedral Ni(II) complex with new NNO donor Schiff base ligand: Synthesis, structure and Hirshfeld surface
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Two nitrates of dapsone: New candidates for non-linear optical materials
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Synthesis, Crystal Structure, Hirshfeld Surfaces Analysis, Interaction with DNA and Comparation of Different Bases in Hirshfeld Atom Refinement of New Polymorph of Chlorido(η6-p-cymene)(diclofenac)Ruthenium(II) Organometallic Compound
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Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study
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Synthesis, characterization and phenoxazinone synthase mimicking activity of cobalt(III) Schiff base complexes
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A new 3D Pb(II)-based MOF as highly sensitive selective fluorescent probe for naked-eye detection of furazolidone
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Decomposition of Intermolecular Interactions in the Crystal Structure of Some Diacetyl Platinum(II) Complexes: Combined Hirshfeld, AIM, and NBO Analyses
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Synthesis, Spectral Characterization, DFT Calculations, Cell Cycle Arrest, Apoptosis Assay, Cytotoxicity, DNA Binding and Biological Evaluation Study of Novel NO Pincer‐Type 2‐(5,6‐Diflorobenzo[d]thiazol‐2‐yl)phenol and Its Bis(2‐(5,6‐diflorobenzo[d]thiazol‐2‐yl)phenoxy) Dichloro Platinum(IV) Trihydrate
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Color Polymorphs of ROY-ol
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Synthesis, characterization, DFT calculations, electric and dielectric properties of (C6H10(NH3)2) CdCl4 H2O organic-inorganic hybrid compound
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Structural Investigations, Hirschfield Surface, Vibrational and Nmr Spectroscopies Analysis of a New Hybrid Complexes: (C6h10n2).Cl2 (I) and [C6h10n2]2zncl4 (Ii)
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Single crystal perovskite an emerging photocatalytic and storage material: Synthesis to applications via theoretical insight
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Synthesis, structural characterization and Hirshfeld analysis studies of three novel co-crystals of trans-4-[(2-amino-3,5-dibrobenzyl) amino] cyclohexanol with hydroxyl benzoic acids
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Dimeric complexes of transition metal based on azole nucleating ligands involving hydrogen bonding interactions
Chao Feng, Duo Zhang, Zhao-Jing Chu and Hong Zhao
Polyhedron, 2016, 115, 288
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Homoleptic Complexes of Heterocyclic Curcuminoids with Mg(II) and Cu(II): First Conformationally Heteroleptic Case, Crystal Structures, and Biological Properties
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A facile route for the synthesis of new 1D copper(II) coordination polymer as precursors for preparation of nano structures: Crystallography and Hirshfeld surface analysis
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Experimental and theoretical spectroscopic and structural analyses of a new chalcone single crystal derived from 4-bromo-2-thiophenecarboxaldehyde
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Structural and Biological Properties of Heteroligand Copper Complexes with Diethylnicotinamide and Various Fenamates: Preparation, Structure, Spectral Properties and Hirshfeld Surface Analysis
Milan Piroš, Martin Schoeller, Katarína Koňariková, Jindra Valentová, Ľubomír Švorc, Ján Moncoľ, Marian Valko and Jozef Švorec
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Structural and biological diversity of Ni(II), Mn(II), and Co(II) pincer complexes of 2-amino-4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine
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Two new manganese(III) complexes with salicylaldimine Schiff bases: Synthesis, structure, self-assembly and phenoxazinone synthase mimicking activity
Nandita Sarkar, Mithun Das and Shouvik Chattopadhyay
Inorganica Chimica Acta, 2017, 457, 19
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Construction of a new double phenoxo bridged asymmetric manganese(III) Schiff base complex: Observation of ferromagnetic interaction within the dimer and antiferromagnetic interaction between dimers
Nandita Sarkar, Kousik Ghosh, Rodrigo González-Prieto, Santiago Herrero and Shouvik Chattopadhyay
Polyhedron, 2019, 164, 138
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Hydrogen-bonded supramolecular structures in copper(II) nitrobenzoates with N-methylnicotinamide: synthesis, supramolecular structure, Hirshfeld surface analysis, spectral and DFT study
Milan Piroš, Zuzana Vasková, Milan Mazúr, Ján Moncoľ and Jozef Švorec
Transit Met Chem, 2023, 48, 281
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XRD, FT–IR and UV characterization, hirshfeld surface analysis and local-global chemical descriptor studies of (E)-2-((3-fluorophenylimino)methyl)-3-methoxyphenol (1) and (E)-2-((2-fluorophenylimino)methyl)-3-methoxyphenol (2)
Zeynep Demircioğlu, Çiğdem Albayrak Kaştaş and Orhan Büyükgüngör
Journal of Molecular Structure, 2018, 1166, 131
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The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives
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Acta Crystallogr E Cryst Commun, 2024, 80, 682
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Crystal structures and Hirshfeld surface analysis of (cat)2[FeIII(η3-dipic)(NCS)3] and (cat)[FeIII(η3-dipic)(H2O)(NCS)2] (dipic = dipicolinate)
Marian Koman, Milan Melník, Róbert Uhrecký and Jan Moncol
Polyhedron, 2020, 183, 114529
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Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, pkCSM Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes
Oussama Khaoua, Soumia Mouffouk, Noura Benbellat, Samira Zeroual, Stéphane Golhen, Abdelkrim Gouasmia, Henry Chermette and Hamada Haba
Eur J Inorg Chem, 2024, 27
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Manganese(III) complexes with tetradentate salicylaldimine Schiff bases: Synthesis, structure, self assembly and catalase activity
Nandita Sarkar, Prasanta Kumar Bhaumik and Shouvik Chattopadhyay
Polyhedron, 2016, 115, 37
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Synthesis, computational studies and biological activity of oxamohydrazide derivatives bearing isatin and ferrocene scaffolds
Mezna Saleh Altowyan, M. Ali, Saied M. Soliman, Abdullah Mohammed Al-Majid, Mohammad Shahidul Islam, Sammer Yousuf, M. Iqbal Choudhary, Hazem A. Ghabbour and Assem Barakat
Journal of Molecular Structure, 2020, 1202, 127372
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Synthesis, characterization and photocatalytic activity of a dinuclear thiocyanate bridged cadmium(II) Schiff base complex
Sumit Roy, Klaus Harms and Shouvik Chattopadhyay
Polyhedron, 2017, 127, 471
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Fabrication of a pyridyl appended linear Co(II) based coordination polymer: Structural insights and molecular docking
Taposi Chatterjee, Mukti Mohammad, Sakhiul Islam, Saikh Mohammad Wabaidur, Maria Christy, Md. Maidul Islam, Mohammad Hedayetullah Mir and Seikh Mafiz Alam
Inorganica Chimica Acta, 2023, 552, 121493
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Synthesis, crystal structure, computational chemistry studies and Hirshfeld surface analysis of two Schiff bases, (E)-2-[(4-bromo-2-methylphenylimino)methyl]-4-methylphenol and (E)-2-[(4-bromo-2-methylphenylimino)methyl]-6-methylphenol
Zeynep Demircioğlu, Çiğdem Albayrak Kaştaş, Gökhan Kaştaş and Cem Cüneyt Ersanlı
Molecular Crystals and Liquid Crystals, 2021, 723, 45
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Synthesis, experimental and theoretical analyses of bis(2-ethylphenyl)phosphorodithioates of nickel(II)
Deepika Sharma, Tahira Firdoos, Anu Radha, Sandeep Kumar, Sonam Shakya, Amanpreet K. Jassal and Sushil K. Pandey
Journal of Molecular Structure, 2022, 1263, 133166
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Persistent Room Temperature Phosphorescence from Triarylboranes: A Combined Experimental and Theoretical Study
Zhu Wu, Jörn Nitsch, Julia Schuster, Alexandra Friedrich, Katharina Edkins, Marcel Loebnitz, Fabian Dinkelbach, Vladimir Stepanenko, Frank Würthner, Christel M. Marian, Lei Ji and Todd B. Marder
Angewandte Chemie, 2020, 132, 17285
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Structure-property correlation in gallic acid and 4-cyanopyridine cocrystal and binding studies with drug efflux pump in bacteria
Shyam Goswami, Arabinda Ghosh, Karmajyoti Borah, Anupam Mahanta, Ankur K Guha and Sanchay J Bora
Journal of Molecular Structure, 2021, 1225, 129279
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Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor
Vikaraman P. Archana, Sanja J. Armaković, Stevan Armaković, Ismail Celik, J.B. Bhagyasree, K.V. Dinesh Babu, Mithun Rudrapal, Indira S. Divya and Renjith Raveendran Pillai
Journal of Molecular Structure, 2023, 1281, 135110
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Investigation of the Molecular Structure and DFT Insights into (4-(4-nitrophenyl)-9-(phenylsulfonyl)-9H-carbazole-2,3-diyl)Bis(p-tolylmethanone)
M. V. Muppuli, K. Rajesh, D. Anitha Rexalin, K. Anandan, K. Gayathri, A. Mani, P. Devendran, V. Thayanithi, P. Kurinjinathan and M. Suresh Kumar
J Struct Chem, 2024, 65, 987
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Synthesis, crystal structure and biological application of a Cu(II) coordination compound of 2-hydroxy-5-methyl-3-(pyridin-3-yliminomethyl)-benzaldehyde
Himadri Sekhar Chatterjee, Basudeb Dutta, Kunal Pal, Kuladip Jana, Pradip Kumar Mahapatra and Chittaranjan Sinha
Journal of the Indian Chemical Society, 2021, 98, 100007
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Synthesis, crystal structure and DNA binding of a new Ni(II) coordination compound based on 4-(1-naphthylvinyl)pyridine ligand
Akhtaruzzaman, Samim Khan, Asma A. Alothman, Basudeb Dutta, Saikh Mohammad Wabaidur, Seikh Mafiz Alam, Md. Maidul Islam and Mohammad Hedayetullah Mir
Polyhedron, 2020, 190, 114777
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Synthesis, structural characterization, and Hirshfeld surface analysis of three cocrystals based on flexible bis(benzimidazole) derivatives with aromatic carboxylic acids
Jing-Wang Cui, Yan-Qin Zhao, Zeng-Chuan Hao and Guang-Hua Cui
Res Chem Intermed, 2018, 44, 721
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A triple alkoxo bridged dinuclear cobalt(III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis
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Journal of Organometallic Chemistry, 2019, 883, 52
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Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores
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The CSD–450,000 answers … but what are the questions?
W.D. Samuel Motherwell
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DFT(B3LYP/LanL2DZ), non-linear optical and electrical studies of a new hybrid compound: [C 6 H 10 (NH 3 ) 2 ]CoCl 4 ·H 2 O
Amal Tounsi, Besma Hamdi, Ridha Zouari and Abdelhamid Ben Salah
Physica E: Low-dimensional Systems and Nanostructures, 2016, 84, 384
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Centrosymmetric Nickel(II) Complexes Derived from Bis-(Dithiocarbamato)piperazine with 1,1′-Bis-(Diphenylphosphino)ferrocene and 1,2-Bis-(Diphenylphosphino)ethane as Ancillary Ligands: Syntheses, Crystal Structure and Computational Studies
Devyani Srivastava, Om Prakash, Gabriele Kociok-Köhn, Abhinav Kumar, Abdullah Alarifi, Naaser A. Y. Abduh, Mohd Afzal and Mohd Muddassir
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The crystal structure and solution behaviour of decyl- and dodecyl α-D-lyxopyranoside: X-ray, NMR, computational and Hirshfeld surface analysis
Michal Hricovíni, Milan Gembicky, Zuzana Hricovíniová and Ján Moncoľ
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Synthesis, structural and spectroscopic studies, DFT calculations, thermal characterization and Hirshfeld surface analysis of copper(II) organic-inorganic hybrid material (C12H22N2)[CuCl4]
Harzi Feriel, Youssef Arfaoui, Cristian Silvestru and Noura Fakhar Bourguiba
Journal of Coordination Chemistry, 2022, 75, 70
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Synthetic stratagem and structures of two heteroleptic cobalt(III) complexes acting as biomimetic catalysts: Role of co-ligands in catalytic activities
Kousik Ghosh and Shouvik Chattopadhyay
Polyhedron, 2019, 170, 495
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Synthesis, Characterization, and Properties of Rivaroxaban New Crystalline Forms
Lihai Zhai, Zhaohua Zhang, Lihong Guo, Zhiying Zhu, Changkai Hu and Guimin Zhang
Crystal Research and Technology, 2021, 56
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Optical Investigation of a Non‐Centrosymmetric Tetrachlorocobaltate (II) Hybrid, in the Presence of Two Distinct Pyridine Molecules
Sarra Bougossa, Najla Karâa, Ali Ben Ahmed and Besma Hamdi
Applied Organom Chemis, 2025, 39
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A Cu(II)‐Inorganic Co−Crystal as a Versatile Catalyst Towards ‘Click’ Chemistry for Synthesis of 1,2,3‐triazoles and β‐hydroxy‐1,2,3‐triazoles
Debasish Ghosh, Subhendu Dhibar, Amiya Dey, Priyanka Manna, Partha Mahata and Biswajit Dey
ChemistrySelect, 2020, 5, 75
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Pentacoordinated isothiocyanate iron(III) complexes supported by asymmetric tetradentate donor and acceptor Schiff base ligands: Spectral, Structural and Hirshfeld Surface Analyses
Jonathan Cisterna, Vania Artigas, Mauricio Fuentealba, Carolina Manzur, Jean-René Hamon and David Carrillo
Journal of Molecular Structure, 2021, 1230, 129864
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Copper(II) hydrazone complexes derived from (Z)-N′-{(2-hydroxynapthalen-1-yl}methylene)acetohydrazide: Synthesis, spectral characterization, electrochemical behaviour, density functional study, in vitro catalytic activity and molecular docking
Abhay K. Patel, Rajendra N. Jadeja, Neetu Patel, Ram N. Patel, Satish K. Patel, Ray.J. Butcher, Santosh Kumar and Gaurav Kumar
Results in Chemistry, 2022, 4, 100244
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Synthesis, X-ray crystal structure and BVS calculation of Co(II) complex of pyrimidine derived Schiff base ligand: Approached by Hirshfeld surface analysis and TDDFT calculation
Kinsuk Das, Malay Dolai, Sudipta Chatterjee and Saugata Konar
Journal of Molecular Structure, 2021, 1236, 130269
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Synthesis, structure and magnetic characterization of a dinuclear and two mononuclear iron(III) complexes with N,O-donor Schiff base ligands
Tanmoy Basak, Kousik Ghosh, Carlos J. Gómez-García and Shouvik Chattopadhyay
Polyhedron, 2018, 146, 42
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Existence of stronger C H···π(chelate ring) interaction compared to C H···π(arene) interactions in the supramolecular assembly of dinuclear iron(III) Schiff base complexes: A theoretical insight
Tanmoy Basak, Antonio Frontera and Shouvik Chattopadhyay
Inorganica Chimica Acta, 2021, 516, 120081
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Synthesis, crystal structure and spectroscopic studies of a new silver complex derived from [1-(3-pyridinyl) ethanone]
Sibel Celik, Abdullah Atılgan, Meryem Alp, Senay Yurdakul, Zeynep Demircioğlu, Namık Özdemir and Orhan Büyükgüngör
Journal of Molecular Structure, 2023, 1294, 136468
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Synthesis of 1,1′-(2,6-dihydroxy-2,6-dimethyl-3,7-dioxabicyclo [3.3.1]nonane-1,5-diyl)diethanone dihydrate: crystal structure and quantitative analysis of molecular interaction via molecular electrostatic potential and Hirshfeld surface analysis
Debnath Saha, Soumen Ghosh and Shyamapada Shit
Phase Transitions, 2018, 91, 681
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Exploitation of the electron deficient outer O4 compartment of a compartmental Schiff base to act as H-bond acceptors in forming a self-assembled dimer of a manganese(III) complex: A joint experimental and theoretical venture
Prasanta Kumar Bhaumik, Antonio Frontera and Shouvik Chattopadhyay
Polyhedron, 2020, 189, 114711
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Visible-light-driven photocatalysts of three nickel(II) coordination polymers with mixed ligands
Shao Yun Hao, Suo Xia Hou, Jing Zhu and Guang Hua Cui
Polyhedron, 2017, 134, 88
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Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study
Anik Bhattacharyya, Prasanta Kumar Bhaumik, Mithun Das, Antonio Bauzá, Partha Pratim Jana, Klaus Harms, Antonio Frontera and Shouvik Chattopadhyay
Polyhedron, 2015, 101, 257
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Theoretical insight on the importance of CH···O and NH···O interactions in the crystal packing of a decavanadate synthesized from a simple V(IV) precursor
Snehasish Thakur,, Wahedur Sk, Rosa M. Gomila, Antonio Frontera and Shouvik Chattopadhyay
Inorganica Chimica Acta, 2023, 549, 121411
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Synthesis, characterization and exploration of supramolecular interactions of a Cu(II) based 1D zig-zag coordination polymer: X-ray structure determination and DFT study
Taposi Chatterjee, Basudeb Dutta, Rajdip Roy, Masoom Raza Siddiqui, Saikh Mohammad Wabaidur, Md Ataul Islam, Faruk Ahmed, Seikh Mafiz Alam and Mohammad Hedayetullah Mir
Inorganica Chimica Acta, 2022, 536, 120894
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Temperature‐Sensitive Structural Speciation of Cobalt‐Iminodialcohol‐(N,N'‐Aromatic Chelator) Systems: Lattice Architecture and Spectrochemical Properties
Sevasti Matsia, Melita Menelaou, Antonios Hatzidimitriou, Vassilis Tangoulis, Nikolia Lalioti, Nikolaos Ioannidis, Laura Blömer, Berthold Kersting and Athanasios Salifoglou
Eur J Inorg Chem, 2020, 2020, 2919
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Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-Pyrazole
Abdullah AYDIN, Mehmet AKKURT, Sumeyye TURANLI, Erden BANOGLU and Nefise OZCELIK
X-ray Structure Analysis Online, 2021, 37, 77
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An experimental and theoretical study of coinage bond interaction in a copper(II)/potassium(I) Schiff base complex
Sourav Roy, Biplab Halder, Rosa M. Gomila, Antonio Frontera, Michael G.B. Drew and Shouvik Chattopadhyay
Inorganica Chimica Acta, 2024, 573, 122323
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β-Enaminones and organic salts from 3-benzoyl-4‑hydroxy-6-phenyl-2H-pyran-2-one: Synthesis, X-ray crystal structural studies and antimicrobial activity
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Structural elucidation, in vitro DNA binding and anticancer investigations of a new specific target dinuclear Zn(II) complex
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Structural characterization, theoretical investigation and sensing activity of a novel Cu(II)–based 1D metal coordination polymer
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Halide bridged novel ternary copper(I) complexes with bis imino-quinolinyl ligand and triphenylphosphine: Synthesis, structure, luminescence, electrochemistry and theoretical studies
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Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)
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A New centrosymmetric supramolecular Hybrid Antimony (III)-based material :X-ray characterization, vibrational studies, theoretical (DFT and TD-DFT) studies, thermal behavior, opto-electric properties and atomic Hirshfeld surface analysis.
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A computational study of anisotropic charge transport in air-stable fluorinated benzobisbenzothiophene (FBBBT) derivatives
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X–ray crystal structure, Hirshfeld surface analysis, DFT and electronic properties of (E)–4–chloro–N′–(2,4–dihydroxy–benzylidene) benzohydrazide
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A 2D Co(II) Coordination Polymer Containing Tri-flexural Helical Chains from Achiral Materials
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An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical material
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[Ti{η5-1-(SiMe3)-3-(R)-C9H5}Cl2(OEt)] half-sandwich complexes: Synthesis, solid-state structure, hirshfeld surface analysis and theoretical studies
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Synthesis, characterization and biological evaluation of three novel copper(II) clonixinate complexes with methylpyridines: Insights into structure, DNA and BSA binding properties and anticancer activity
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Molecular structure, experimental and theoretical spectroscopic characterization and non-linear optical properties studies of a new non-centrosymmetric hybrid material
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Synthesis, Performance, and Thermal Behavior of Two Insensitive 3,4-Dinitropyrazole-Based Energetic Cocrystals
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New mercury(II) halide complexes with neutral ferrocene functionalized thiazolidine‐2‐thiones: Crystallographic and computational analyses
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Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide
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Electronic property trends of single-component organic molecular crystals containing C, N, O, and H
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Crystal growth, structural, optical, vibrational analysis, Hirshfeld surface and quantum chemical calculations of 1, 3, 5-triphenylbenzene single crystal
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Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties
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DFT study on CH⋯O, CH···SCN and S···π interaction energies in three dinuclear mixed valence cobalt(III/II) complexes with secondary diamine ligands having inner N2O2 and outer O4 compartments
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3D supramolecular assembly of Cu(II) CP containing 1D zig-zag chain and 2D paddle-wheel net: Structural elucidation and investigation of band gap
Basudeb Dutta, Sanobar Naaz, Taposi Chatterjee, Saikh Mohammad Wabaidur, Munirah D. Albaqami, Reham Ghazi Alotabi, Md Ataul Islam, Seikh Mafiz Alam and Mohammad Hedayetullah Mir
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An intramolecular antiferromagnetically coupled pentanuclear Mn(II) cluster containing acetate and tetracarboxylate linkers: Synthesis, structure and magnetism
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Nickel(II) complexes with 2-aminomethylbenzimidazole: crystal structures and Hirshfeld surface analysis
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Insights into the crystal structure of a polyoxomolybdate(VI) anion stabilized by ammonium cation: Inputs from X-ray diffraction and Hirshfeld surface analysis
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Systematical Investigation of Chain Length Effect on the Melting Point of a Series of Bifunctional Anthraquinone Derivatives via X-ray Diffraction and Scanning Tunneling Microscopy
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A comprehensive study on the intermolecular interactions and energy frameworks exist in crystal structures of Form-I, Form-II and Form-III polymorphs of Ethyl maltol
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Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative
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Structure determination through powder X-ray diffraction, Hirshfeld surface analysis, and DFT studies of 2- and 4-(methylthio)benzoic acid
Paramita Chatterjee
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Anion-pairing effect in Cd(II) coordination with a tetrabenzotetraza-crown macrocyclic ligand
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Syntheses and luminescence of four supramolecular coordination complexes with flexible ligand
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The Role of the Bridge in Single-Ion Magnet Behaviour: Reinvestigation of Cobalt(II) Succinate and Fumarate Coordination Polymers with Nicotinamide
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Metal-Organic Hybrids Base on [Vo2(L)]- Tecton with Cations of Imidazole and its Derivative: Synthesis, Single-Crystal Structures and Antidiabetic Propertiesmetal-Organic Hybrids Base on [Vo2(L)]- Tecton with Cations of Imidazole and its Derivative: Synthesis, Single-Crystal Structures and Antidiabetic Properties
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New hybrid of the barbituric acid motif: synthesis, X-ray single crystal, DFT, and Hirshfeld surface analyses
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Several salicylatocopper(II) complexes with diethylnicotinamide: Preparation, structure, spectral properties and Hirshfeld surface analysis
Miroslava Puchoňová, Milan Mazúr, Zděnka Růžičková, Dušan Valigura and Ján Moncoľ
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Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
Marwa Mhiri, Sergiu Shova and Mohamed Boujelbene
Results in Chemistry, 2025, 13, 101969
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Mechanochemical synthesis and structural characterization of three novel cocrystals of dimethylglyoxime with N-heterocyclic aromatic compounds and acetamide
Syed Sibte Asghar Abidi, Yasser Azim, Abhishek Kumar Gupta and Chullikkattil P. Pradeep
Journal of Molecular Structure, 2017, 1150, 103
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Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)
Subrata Jana, Klaus Harms, Antonio Bauzá, Antonio Frontera and Shouvik Chattopadhyay
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Syntheses, Crystal Structures, and Properties of Two Novel CL‐20‐based Cocrystals
YuJia Liu, Penghao Lv, Chenghui Sun and Siping Pang
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4,4′-(1,2-Phenylenebis(methyleneoxy))dibenzoate based Cd(II)-coordination polymer: A turn-off-on photoluminescent sensor against ascorbic acid and aspirin
Jiajun Fang, Yiguo Ayue, Jingyi Liang, Lu Lu, Mohammad Khalid Parvez, Mohammed S. Al-Dosari, Shreya Srivastava and Abhinav Kumar
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Crystal growth, structural, optical, thermal, DFT and Z-scan analyses of Imidazolium 3,4-dinitrobenzoate crystal
Elavarasi Chinnakannu, Mugundan Sankar, Senthilkumar Chandran, Keerthivasan Thamotharan and Srinivasan Manickam
Journal of Molecular Structure, 2023, 1294, 136419
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The Hirshfeld surface of three new isonicotinylhydrazine co-crystals: Comparison of hydrogen bonds and crystal structures
Mariana S. Cunha, Carlos Eduardo P. Ribeiro, Charlane C. Corrêa and Renata Diniz
Journal of Molecular Structure, 2017, 1150, 586
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3β-Acetoxy cholest-5-ene crystals: Catalytic synthesis, structural elucidation, contribution of intermolecular interactions and density functional theory calculations
Ashraf Mashrai, Mohammad Jane Alam, Bushra Amer, Musheer Ahmed and Shabbir Ahmad
Journal of Molecular Structure, 2020, 1221, 128833
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Diastereoselective Entry to Novel Aminoindolizidines with Fused Furan, Thiophene, and Pyrrole Ring Starting from L‐Glutamic Acid
Paula Fraňová, Peter Šafář, Ján Moncoľ, Ivana Žídeková, Adam Daïch and Štefan Marchalín
Eur J Org Chem, 2025, 28
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X-ray structure determination, Hirshfeld surface analysis, spectroscopic (FT-IR, NMR, UV–Vis, fluorescence), non-linear optical properties, Fukui function and chemical activity of 4′-(2,4-dimethoxyphenyl)-2,2′:6′,2″-terpyridine
Zeynep Demircioğlu, Ahmet Emin Yeşil, Mehmet Altun, Tülay Bal-Demirci and Namık Özdemir
Journal of Molecular Structure, 2018, 1162, 96
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Nonlinear Optical Behavior Due to Charge Transfer within Selected Heterocyclic Anthracenyl Chalcones under Continuous Wave Laser Excitation
Dian Alwani Zainuri, Mundzir Abdullah, Suhana Arshad and Ibrahim Abdul Razak
Polycyclic Aromatic Compounds, 2023, 43, 3305
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Quantifying intermolecular interactions in solid state indapamide and other popular diuretic drugs: Insights from Hirshfeld surface study
Joanna Bojarska, Andrzej Fruziński and Waldemar Maniukiewicz
Journal of Molecular Structure, 2016, 1116, 22
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Characterization of new hybrid material based on 5-amino-3-methyl-1-phenyl-1H-1,2,4-triazole and bismuth: Hydrothermal synthesis, structural analysis, thermal behavior, vibrational and optical properties, and Hirshfeld surface calculations
Amin Alibi, Nour Elleuch, Manel Ben Hassen, Sergiu Shova, Fakher Chabchoub and Mohamed Boujelbene
Journal of Molecular Structure, 2024, 1317, 139034
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Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses
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Crystal Growth & Design, 2010, 10, 4476
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A new trinuclear Cd(II)-based coordination polymer with Salen ligand building blocks: Synthesis, crystallographic aspects, and optimistic photosensitive Schottky barrier diode behaviour
Dhrubajyoti Majumdar, Sourav Roy, Arka Dey and Dipankar Sutradhar
Journal of Molecular Structure, 2023, 1294, 136438
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Strategic Design of Anthracene-Decorated Highly Luminescent Coordination Polymers for Selective and Rapid Detection of TNP: An Explosive Nitro Derivative and Mutagenic Pollutant
Samim Khan, Abhijit Hazra, Basudeb Dutta, Akhtaruzzaman, Mustafa Jahir Raihan, Priyabrata Banerjee and Mohammad Hedayetullah Mir
Crystal Growth & Design, 2021, 21, 3344
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Synthesis of 1,2,3‐Triazoles Bearing a 4‐Hydroxyisoxazolidine Moiety from 4,5‐Unsubstituted 2,3‐Dihydroisoxazoles
Radka Štadániová, Michal Sahulčík, Jana Doháňošová, Ján Moncol, Ľuboš Janotka, Kristína Šimoničová, Lucia Messingerová and Róbert Fischer
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A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand
Kousik Ghosh, Tamal Dutta, Michael G.B. Drew, Antonio Frontera and Shouvik Chattopadhyay
Polyhedron, 2020, 182, 114432
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Crystal structure and electronic properties of three phenylpropionic acid derivatives: A combined X-ray powder diffraction and quantum mechanical study
Uday Das, Basab Chattopadhyay, Monika Mukherjee and A.K. Mukherjee
Chemical Physics Letters, 2011, 501, 351
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Synthesis, structural variation, photophysical, electrochemical and DFT studies of CuX (X = I, Br and Cl) mixed ligand complexes of an azino-pyridyl ligand and triphenylphosphine
Jahangir Mondal, Pankaj K. Pal, Anindita Mukherjee and Goutam K. Patra
Inorganica Chimica Acta, 2017, 466, 274
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Unveiling the Red and Brownish-Green Polymorphs of a Novel ROY Derivative: 2-(4-((3-Cyanothiophen-2-yl)amino)-3-nitrophenyl)Acetic Acid
Bernardo A. Nogueira, Susana M. M. Lopes, Ana Clara B. Rodrigues, M. Ermelinda S. Eusébio, Vânia André, Teresa Duarte, J. A. Paixão, Teresa M. V. D. Pinho e Melo and Rui Fausto
Crystal Growth & Design, 2024, 24, 947
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Synthesis and structure of a cobalt(III) complex containing pendant Schiff base ligand: Exploration of its catechol oxidase and phenoxazinone synthase like activity
Kousik Ghosh, Michael G.B. Drew and Shouvik Chattopadhyay
Inorganica Chimica Acta, 2018, 482, 23
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Metal-organic hybrids based on [VO2(L)]− tecton with cations of imidazole and its derivative: Synthesis, single-crystal structures and molecular docking studies
Neetu Patel, Abhay K. Patel, Maitrey Travadi, R.N. Jadeja, R.J. Butcher, Mohd. Muddassir, S. Kumar and R. Kapavarapu
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Structural analyses of two new highly distorted octahedral copper(II) complexes with quinoline-type ligands; Hirshfeld, AIM and NBO studies
Saied M. Soliman, Jörg Albering and Morsy A.M. Abu-Youssef
Polyhedron, 2017, 127, 36
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2,4,6-Trinitro-N-(m-tolyl)aniline: A New Polymorphic Material Exhibiting Different Colors
Bernardo A. Nogueira, Susana M. M. Lopes, Susy Lopes, Timur Nikitin, Ana Clara B. Rodrigues, Maria Ermelinda S. Eusébio, José A. Paixão, Teresa M. V. D. Pinho e Melo, Alberto Milani, Chiara Castiglioni and Rui Fausto
Crystal Growth & Design, 2021, 21, 7269
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2D isostructural Ln(III)-based coordination polymer derived from Imidazole carboxylic acid: Synthesis, structure and magnetic behavior
Tianrui Qin, Zhan Shi, Wenjing Zhang, Xiuyan Dong, Ning An, Hiroshi Sakiyama, Mohd. Muddassir, Devyani Srivastava and Abhinav Kumar
Journal of Molecular Structure, 2023, 1282, 135220
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ROS -mediated anticancer response of potent copper(II) drug entities derived from S, O and N, N chelating donor scaffold: Single X-ray crystal diffraction and spectroscopic studies
Shariq Yousuf, Farukh Arjmand and Sartaj Tabassum
Journal of Molecular Structure, 2022, 1262, 132989
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Bakır(II)–Sulfametazin-2,2'-bipiridin Kompleksinin Hesaplamalı Kimya Yöntemi ile Spektroskopik Özelliklerinin İncelenmesi: Moleküler Modelleme Çalışması, ADME/T
Filiz ÖZTÜRK and Tuğba AYCAN
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Construction of a photoluminescent Zn(II)-based 2D MOF via in situ cis-trans isomerization of cis,cis-muconate ligand
Taposi Chatterjee, Ersad Hossain, Samim Khan, Sourav Roy, Saikh Mohammad Wabaidur, Md Ataul Islam, Seikh Mafiz Alam and Mohammad Hedayetullah Mir
Journal of Molecular Structure, 2023, 1271, 134011
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Exploration of supramolecular layer and bi-layer architecture in M(II)–PPP complexes: Structural elucidation and Hirshfeld surface analysis [PPP = 4-(3-Phenylpropyl)pyridine, M = Cu(II), Ni(II)]
Saikat Kumar Seth
Journal of Molecular Structure, 2014, 1070, 65
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Facile fabrication of a Cu(II) 1D zig–zag coordination polymer demonstrating affinity toward DNA molecules
Sanobar Naaz, Taposi Chatterjee, Kalamoddin Shaikh, Basudeb Dutta, Masoom Raza Siddiqui, Saikh M. Wabaidur, Md Maidul Islam, Abdul Malik Puthan Peedikakkal, Mohammad Hedayetullah Mir and Seikh Mafiz Alam
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Studies on the synthesis, structural characterization, Hirshfeld analysis and stability of apovincamine (API) and its co-crystal (terephthalic acid: Apovincamine=1:2)
Yu-heng Ma, Shu-wang Ge, Wei Wang and Bai-wang Sun
Journal of Molecular Structure, 2015, 1097, 87
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Synthesis, structural characterisation, luminescence properties and DFT calculations of a new 2D polymeric network of cadmium (II)
Amani Hind Benahsene, Lamia Bendjeddou, Volker Kahlenberg, Bachir Zouchoune, Mauro Carcelli, Cristiano Viappiani, Raounek Rouag, Fatiha Guenifa and Rokaya Henchiri
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Variation in crystalline architectures through supramolecular interactions in copper(II) complexes with tridentate N2O donor Schiff bases
Subrata Jana, Partha Pratim Jana and Shouvik Chattopadhyay
Journal of Coordination Chemistry, 2015, 68, 2520
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Synthesis, crystal structure, spectroscopic study and Hirshfeld surface analysis of [Ni(C6H8N2)3]Cl2.2(H2O) (1)
W. Jbali, W. Selmi, L. Jouffret, R. Marzouki and M.F. Zid
Journal of Molecular Structure, 2021, 1225, 129123
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Optoelectronic, luminescence, and nonlinear properties of a non-centrosymmetric Cd(II)-based complex
Rawia Msalmi, Khouloud Dammak, Slim Elleuch, Besma Hamdi, Anowar Tozri and Houcine Naїli
Journal of Physics and Chemistry of Solids, 2022, 163, 110567
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A 1D Sb-containing hybrid organic-inorganic material: Synthesis, structural characterization, hirshfeld surface, thermal behavior, vibrational and optical properties
Chaima Jridi, Nour Elleuch, Sergiu Shova and Mohamed Boujelbene
Journal of Molecular Structure, 2024, 1306, 137730
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New tetrahedral zinc halide Schiff base complexes: Synthesis, crystal structure, theoretical, 3D Hirshfeld surface analyses, antimicrobial and thermal studies
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Materials Science and Engineering: C, 2017, 77, 229
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Structural elucidation, density functional calculations and contribution of intermolecular interactions in cholest-4-en-3-one crystals: Insights from X-ray and Hirshfeld surface analysis
Hena Khanam, Ashraf Mashrai, Nazish Siddiqui, Musheer Ahmad, Mohammad Jane Alam, Shabbir Ahmad and Shamsuzzaman
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Synthesis, spectral properties, structural characterization and bioactivity of aqua-bis(4-pyridylmethanol)-bis(Xbenzoato)copper(II) complexes
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C–H···π(metal–ligand ring) interaction in a mesaconate bridged Cd(II) 1-D coordination polymer: structural elucidation, theoretical study, and photophysical properties
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Synthesis, characterization, crystal structure, Hirshfeld surface analysis and spectroscopic properties of bis(5-aminoisophthalato)bispicolinecopper (II)
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Supramolecular Assembly of a Terpyridyl based Binuclear Cu(II) Complex and its DNA Docking Study
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Synthesis, Photophysical and Electronic Properties of New Red‐to‐NIR Emitting Donor–Acceptor Pyrene Derivatives
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Preparation and thorough characterization of the first [M(N3)6]4– (M = NiII, MnII) complexes
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Synthesis, crystal structure, Hirshfeld surface analysis, vibrational and photoluminescence properties of a supramolecular hybrid of 2-amino, 3-nitropyridinium perchlorate (C5H6N3O2)ClO4
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Progressive Cation Triggered Anion Binding by Electron-Rich Scaffold: Case Study of a Neutral Tripodal Naphthyl Thiourea Receptor
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Two different coordination polyhedra in the crystal structure of a novel Zn(II) hybrid complex: DFT investigation, biological activities and emission properties
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Supramolecular and theoretical investigation of copper(II) complexes containing 2,2′-bipyridine and substituted chalcone ligands: Estimation of non-covalent interactions
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Integrating simulated and experimental studies on novel single crystal bis(guanidininium) n-carboxylatephenylalanine towards enhanced antitumor effect
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Synthesis, Hirshfeld surface analysis, optical and electronic properties of the functional hybrid perovskite [NH3–(CH2)2–NH3] CdCl4: a combined experimental and theoretical study
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Halide bridged organophosphorus complexes of HgX2 (X: I, Br and Cl): Synthesis, structure and theoretical studies
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Two mefenamic acid derivatives: structural study using powder X-ray diffraction, Hirshfeld surface and molecular electrostatic potential calculations
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An analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid
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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles
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Synthesis, characterization, Hirshfeld surface analysis, and the study of antimicrobial, and acaricidal properties of copper(II) complexes with 2-(hydroxymethyl)benzimidazole ligand
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Chemical reactivity profile of rare earth metal ions with flavonoids. From structural speciation to magneto-optical properties
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The crystal structure of tetrameric copper(II) complexes, Hirshfeld surface analysis, and vector analyses of Cu4OCl6L4 complexes with N-donor ligands
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Elaboration, structural, spectroscopy, DSC investigations and Hirshfeld surface analysis of a one-dimensional self-assembled organic-inorganic hybrid compound
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Energy transfer mechanism of Eu2+, Mn2+Doped lithium aluminate phosphor: Synthesis, Hirshfeld surface analysis and optical study
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The aqueous structural speciation of binary thallium-hydroxycarboxylic acid systems. Structure-chemical (bio)reactivity correlations
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Subtle C–H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence
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Supramolecular assembly involving weak hydrogen bonds, anti-parallel π···π stacking and O···C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl)thiazole-4-carboxylate derivative: An experimental and theoretical study
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Synthesis, crystal structure, spectroscopic (FT-IR, UV–Vis, EPR) and Hirshfeld surface analysis studies of Zn(II)-benzoate coordination dimer
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Fabrication of a parallel interpenetrating 2D hydrogen-bonded zig-zag Zn(II) coordination polymer: Characterization and band gap study
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Experimental, Theoretical, Characterization and TD-DFT Analysis of a Complex [Cu(CAP)2Cl2]
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A zinc(II) amidine complex: tandem synthesis, structure, and self assembly
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Distinguishing the Packing Modes of Planar Energetic Molecules with Two “H2N–C–C–NO2” Groups Based on π-Holes
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Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation
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Supramolecular architectures of mononuclear nickel(II) and homobinuclear copper(II) complexes with the 5,5′-dimethyl-2,2′-bipyridine ligand: Syntheses, crystal structures and Hirshfeld surface analyses
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Structural elucidation, Hirshfeld surface analysis and quantum mechanical study of para-nitro benzylidene methyl arjunolate
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Structural variability, Hirshfeld surface analysis and properties of three Zn(II) coordination polymers based on flexible bis(thiabendazole) and aromatic dicarboxylate co-ligands
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Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid
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Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent
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Supramolecular structure of bis (2,2′- bipyridinium) tetrachloroanitimonates(III) dichloride: Synthesis, vibrational, structural, hirshfeld surface, thermal behavior and optical properties
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Construction of a Succinate-Bridged Cd(II)-Based Two-Dimensional Coordination Polymer for Efficient Optoelectronic Device Fabrication and Explosive Sensing Application
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Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures
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Synthesis, characterization, crystallographic aspects, Fukui function, and photodynamic antifungal chemotherapy investigation of Cd(II)-tricyanomethanide coordination polymer: Insights from DFT
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A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases
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Sulfido-bridged 1,2-bis(diphenylphosphino)ethane (dppe) appended trinuclear nickel(II) clusters: Crystallographic and computational analyses
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Synthesis, characterization and magnetic study of two new octahedral iron(III) complexes with pendant zwitterionic Schiff bases
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Tetrazolate bridged dinuclear photo-luminescent zinc(II) Schiff base complex prepared via 1,3-dipolar cycloaddition at ambient condition
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Two new Schiff bases of (E)-2,4-di-tert-butyl-6-((4-fluorophenylimino)methyl)phenol (I) and (E)-2,4-di-tert-butyl-6-((3-iodo-4-methylphenylimino)methyl)phenol (II): structural, spectroscopic and quantum chemical calculations
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Polymorphism − A Perspective
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Different structural types of hetero-metal bis(citrato)germanates with 1,10-phenanthroline: Targeted synthesis, spectral, thermal properties and Hirshfeld surface analysis
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Isomeric effect in structural studies of substituted nitro hydroxy-3-methoxy-benzaldehyde and nitro 2,3-dimethoxy-benzaldehyde derivatives
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Structural asymmetry, physicochemical characterization and optical properties of a new luminescent zero dimensional organic-inorganic hybrid compound
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Structural, photoluminescence, physical, optical limiting, and hirshfeld surface analysis of polymorphic chlorophenyl organic chalcone derivative for optoelectronic applications
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Synthesis, structural characterization of dinuclear copper(II) complexes based on Schiff base derived ligands and their impacts on DNA-binding affinities
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