Author:
Bérces Attila,Ziegler Tom
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
105 articles.
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1. QM, Fukui function, molecular docking, molecular dynamics investigation on Human Estrogen Receptor (HER) with Clioquinol;Chemical Physics Impact;2024-06
2. Scale-free-modeling (harmonic) vibrational frequencies: Assessing accuracy and cost-effectiveness by CBS extrapolation;The Journal of Chemical Physics;2022-11-07
3. Barrier Potential, Structure (Monomer and Dimer), Inter- and Intra-Molecular Interactions, Vibrational Analysis, Fukui Functions, MESP, NBO, UV and NMR Analysis of Pyridine-3-Carboxylic Acid Using Spectroscopic and DFT Approach;Polycyclic Aromatic Compounds;2022-03-14
4. Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics;Scientific Reports;2020-10-21
5. A new polymorph of zinc-phthalocyanine and its optical properties;Journal of Crystal Growth;2020-09