Vibrational circular dichroism of tartaric acid in water

Deborah A. Drost and Christian Merten

Phys. Chem. Chem. Phys., 2026, 28, 1111
DOI: 10.1039/D5CP03705K

Stereochemistry of natural products from vibrational circular dichroism

Andrea N. L. Batista, Alessandra L. Valverde, Laurence A. Nafie and João M. Batista Jr

Chem. Commun., 2024, 60, 10439
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Photochemical rearrangements of a [2.2]paracyclophane-based nitrene studied by vibrational CD spectroscopy

Frederike Beyer and Christian Merten

Chem. Commun., 2025, 61, 12203
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Chatbot-assisted quantum chemistry for explicitly solvated molecules

Rohit S. K. Gadde, Sreelaya Devaguptam, Fangning Ren, Rajat Mittal, Lechen Dong, Yao Wang and Fang Liu

Chem. Sci., 2025, 16, 3852
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Modeling infrared and vibrational circular dichroism spectra of complex systems: the DFTB/fluctuating charges route

Piero Lafiosca, Sara Gómez, Luca Melega, Tommaso Giovannini and Chiara Cappelli

Phys. Chem. Chem. Phys., 2025, 27, 11198
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Vibrational circular dichroism spectra of proline in water at different pH values

Deborah A. Drost and Christian Merten

Phys. Chem. Chem. Phys., 2024, 26, 17753
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Solvent effects in furofuran lignans revealed by vibrational CD spectroscopy

Eric Y. Lee, Victor M. S. Sousa, Eloá R. Mestriner, Kalil Bernardino, Isabele R. Nascimento and João M. Batista

Phys. Chem. Chem. Phys., 2025, 27, 3908
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The role of intramolecular hydrogen bonding in photoelectron circular dichroism: the diastereoisomers of 1-amino-2-indanol

Etienne Rouquet, Jennifer Dupont, Julien Vincent, Valéria Lepère, Anne Zehnacker, Sebastian Hartweg, Gustavo A. Garcia and Laurent Nahon

Phys. Chem. Chem. Phys., 2025, 27, 2739
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A VCD study on micro-solvation and self-aggregation of N-acetyl tryptophan propylamide

Dilber Tan, Veronika Stoianova and Christian Merten

Phys. Chem. Chem. Phys., 2025, 27, 20794
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Matrix effects in MI-VCD spectra of two chiral oxiranes and their potential microscopic origin

Corentin Grassin, Corina H. Pollok, Nora M. Kreienborg and Christian Merten

Phys. Chem. Chem. Phys., 2023, 25, 31995
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The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals

Sascha Jähnigen, Rodolphe Vuilleumier and Anne Zehnacker

Chem. Sci., 2025, 16, 9833
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Vibrational Circular Dichroism of a Chiral Triplet Nitrene Investigated Under Matrix‐Isolation Conditions in Parahydrogen

Frederike Beyer, Corentin Grassin, Julien F. Rowen, Wolfram Sander and Christian Merten

Chemistry A European J, 2024, 30
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Organic Ferroelastic with Dual‐Channel Manipulation Obtained by H/F Substitution

Yu‐Qiu Xu, Jin‐Fei Lan, Wei‐Xin Mao, Long‐Xing Zhou, Xin Deng, Xiao‐Gang Chen and Han‐Yue Zhang

ChemPlusChem, 2024, 89
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L-histidine solubility studies and thermodynamic behaviour in aqueous solutions of monovalent metal nitrates

Sourav Ghosh, Avishek Saha, Jit Chakraborty, Perwez Alam, Sintu Ganai, Puspal Mukherjee, Kalachand Mahali and Sanjay Roy

Chemical Thermodynamics and Thermal Analysis, 2026, 22, 100290
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Tuning Supramolecular Structure in Trimethylglycine Cocrystals: Competition Between Hydrogen and Halogen Bonding upon Cl/Br Substitution

Andrei V. Churakov, Alexander G. Medvedev, Anastasia V. Shishkina, Nikita E. Frolov and Mikhail V. Vener

Molecules, 2026, 31, 1047
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Mechanistic Study on the Effect of Solvents on Polymorphic Transformation of Aripiprazole by Solvent Property Parameters and Molecular Dynamics Simulation

Zhixin Zheng, Xin Huang, Na Wang, Ting Wang, Lina Zhou, Zhao Xu and Hongxun Hao

Crystal Growth & Design, 2024, 24, 2873
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Elucidating Ligand‐Dependent Selectivities in Pd‐Catalyzed C–H Activations

Fritz Deufel, Monika Ravi and Manuel van Gemmeren

Angew Chem Int Ed, 2025, 64
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Elucidating Ligand‐Dependent Selectivities in Pd‐Catalyzed C–H Activations

Fritz Deufel, Monika Ravi and Manuel van Gemmeren

Angewandte Chemie, 2025, 137
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After 50 Years of Vibrational Circular Dichroism Spectroscopy: Challenges and Opportunities of Increasingly Accurate and Complex Experiments and Computations

Julien Bloino, Sascha Jähnigen and Christian Merten

J. Phys. Chem. Lett., 2024, 15, 8813
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Single‐Step Insertion of Organic Sulfur Into a Fe6C Carbide Carbonyl Cluster, Including the Natural Amino Acid L‐Cysteine: Vibrational Circular Dichroism and Chirality Transfer

Francesca Forti, Andrea Pellegrini, Cristiana Cesari, Cristina Femoni, Maria Carmela Iapalucci, Michele Mancinelli and Stefano Zacchini

Angewandte Chemie, 2025, 137
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Revisiting the “Cluster‐In‐Solvent” Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case

Srilatha Arra, Isabella Daidone and Massimiliano Aschi

J Comput Chem, 2025, 46
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An Overlooked Supramolecular Synthon in Multicomponent Trimethylglycine Crystals: Moderate Hydrogen Bonding Between Carboxylate and H-N Groups of Guanidine Species

Andrei V. Churakov, Alexander G. Medvedev, Nikita E. Frolov and Mikhail V. Vener

Crystals, 2024, 14, 1050
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The Digital Chiroscope: Unlocking Blueprints from Chiroptical Spectroscopy’s Black Box

Vlad George Ţeposu, Andra Aniţa Radu, Amanda Nhi Tran, Yunjie Xu and Valentin Paul Nicu

J. Chem. Inf. Model., 2026, 66, 1067
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The First Experimental Charge Density Studies and Comparative Periodic DFT Calculations for Crystalline Hydrogen Peroxide Adducts: Peculiarities of the HO–OH Covalent Bond

Mikhail V. Vener, Alexander G. Medvedev, Adam I. Stash, Alexey A. Mikhaylov, Petr V. Prikhodchenko, Dmitry E. Baravikov, Igor L. Dalinger, Andrei V. Churakov and Fedor M. Dolgushin

J. Phys. Chem. Lett., 2025, 16, 10316
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Testosterone derivatives: Their conformational preferences studied by chiroptical spectroscopy and density functional theory

F. Králík and V. Setnička

Journal of Molecular Structure, 2025, 1328, 141367
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Single‐Step Insertion of Organic Sulfur Into a Fe6C Carbide Carbonyl Cluster, Including the Natural Amino Acid L‐Cysteine: Vibrational Circular Dichroism and Chirality Transfer

Francesca Forti, Andrea Pellegrini, Cristiana Cesari, Cristina Femoni, Maria Carmela Iapalucci, Michele Mancinelli and Stefano Zacchini

Angew Chem Int Ed, 2025, 64
DOI: 10.1002/anie.202513702

Chiroptical spectroscopy complemented by quantum chemical calculations accurately predicts the absolute configuration of P-chirogenic compounds

Markéta Pazderková, František Králík, Hugo Kocek, Markéta Christou Tichotová, Lucie Tučková, Lucie Bednárová and Eliška Procházková

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 330, 125674
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