Stacking interactions in stabilizing supramolecular assembly of M[9C]2M complexes: dynamic stability with remarkable nonlinear optical features

Atazaz Ahsin, Aamna Qamar, Sadegh Kaviani and V. Vetrivelan

Phys. Chem. Chem. Phys., 2025, 27, 240
DOI: 10.1039/D4CP04052J

Analyzing experimental UV–vis spectra of conjugated molecules in solution: Pekarian function fit

Nina Larina and Vladimir Khodorkovsky

New J. Chem., 2025, 49, 3937
DOI: 10.1039/D4NJ05537C

Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties

Mark Sigalov, Royi Mazor, Arkady Ellern, Nina Larina, Vladimir Lokshin and Vladimir Khodorkovsky

RSC Adv., 2022, 12, 27766
DOI: 10.1039/D2RA05335G

Synthesis and Solvatochromism of New Thiazole Derivatives Bearing N,N-Bis(2-methoxyethyl) Benzenesulfonamide Moiety

Dilek Bayramin and Gülsiye Öztürk

J Fluoresc, 2025, 35, 12173
DOI: 10.1007/s10895-025-04430-8

Pharmacokinetics, quantum chemistry, and molecular modeling analysis of six potential drug candidates for Chagas disease: posaconazole, K777, phenarimol derivative, BZTS, isoxazole analog, and derivative of 4-arylaminonoline-3-carbonitrile

Gabriel Christian de Farias Morais, Marianna de Oliveira Corrêa, Daniel Melo de Oliveira Campos, Samira Sanami, Shahina Akter, Magdi E. A. Zaki, Umberto Laino Fulco and Jonas Ivan Nobre Oliveira

Future Microbiology, 2026, 21, 105
DOI: 10.1080/17460913.2026.2633082

Exploring the NLO Properties of Brominated Dimethoxybenzaldehydes: From Synthesis to Molecular Modeling

Clodoaldo Valverde, Igor D. Borges, Marco A. Prazeres, Antônio S.N. Aguiar, Angelica Navarrete, Gerardo Aguirre, Francisco A.P. Osório and Hamilton B. Napolitano

J. Phys. Chem. A, 2025, 129, 8148
DOI: 10.1021/acs.jpca.5c04332

Evaluating the in vitro antidiabetic, antibacterial and antioxidant properties of copper(II) Schiff base complexes: An experimental and computational studies

Tunde L. Yusuf, Ibrahim Waziri, Kolawole A. Olofinsan, Eric O. Akintemi, Eric C. Hosten and Alfred J. Muller

Journal of Molecular Liquids, 2023, 389, 122845
DOI: 10.1016/j.molliq.2023.122845

Boosted electronic, optical, and NLO responses of homo P-nanoclusters via conducting polymeric substituents

M.A.M. El-Mansy, M. Ibrahim, A. Suvitha, H. Abdelsalam and W. Osman

Computational and Theoretical Chemistry, 2021, 1202, 113343
DOI: 10.1016/j.comptc.2021.113343

Influence of structural modifications on the physicochemical and biological properties of 4-nitro aniline based azo derivatives

Rajeena Chennikkad, Fuada Mariyam, Shahana Jasmine, Shalina Begum Tharayil, Santhiagu Arockiasamy and Abdul Rahim Andikkadankuzhiyil

Results in Chemistry, 2023, 5, 100902
DOI: 10.1016/j.rechem.2023.100902

Giant Dipole Moments: Remarkable Effects Mono‐, Di‐, and Tri‐ Hydrated 5,6‐Diaminobenzene‐1,2,3,4‐Tetracarbonnitrile

Katherine Stanley, R. Houston Givhan, Justin M. Turney and Henry F. Schaefer

J Comput Chem, 2025, 46
DOI: 10.1002/jcc.70105

Effects of Electromagnetically Treated Water (EMTW) on the Properties of Water and Photosynthetic Performance of Spinacia oleracea L.

Lyubka Koleva-Valkova, Ignat Ignatov, Fabio Huether, Bojin Bojinov, Kiril Marinkov, Teodora P. Popova, Alexander I. Ignatov, Yordan G. Marinov and Mario T. Iliev

Plants, 2025, 14, 2972
DOI: 10.3390/plants14192972

Insight into a novel cobalt complex with promising electric energy stocker properties: A combined DFT and experimental study

Jawher Makhlouf, Atazaz Ahsin, Youness El Bakri, Arto Valkonen, Rashad Al-Salahi and Wajda Smirani

Inorganic Chemistry Communications, 2023, 158, 111537
DOI: 10.1016/j.inoche.2023.111537

Optoelectrical, electronic, and thermodynamic DFT study of a carbon nanoring and its derivative: application as active layer material in organic solar cell performance improvement and nonlinear optics

Guy Maurel Dzifack Kenfack, Fridolin Tchangnwa Nya, Marius Ousmanou Bouba, Alhadji Malloum and Jeanet Conradie

J Mol Model, 2023, 29
DOI: 10.1007/s00894-022-05384-5

Synthesis and Strong Solvatochromism of Push-Pull Thienylthiazole Boron Complexes

Martijn J. Wildervanck, Reinhard Hecht and Agnieszka Nowak-Król

Molecules, 2022, 27, 5510
DOI: 10.3390/molecules27175510

Exploring the Potential of N‐Benzylidenebenzohydrazide Derivatives as Antidiabetic and Antioxidant Agents: Design, Synthesis, Spectroscopic, Crystal Structure, DFT and Molecular Docking Study

Ibrahim Waziri, Tunde L. Yusuf, Monsuru T. Kelani, Eric O. Akintemi, Kolawole A. Olofinsan and Alfred J. Muller

ChemistrySelect, 2024, 9
DOI: 10.1002/slct.202401631