Author:
Kovács Attila,Izvekov Vladiszlav,Keresztury Gábor,Pongor Gábor
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference64 articles.
1. Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules
2. P. Pulay, X. Zhou, G. Fogarasi, in: R. Fausto (Ed.), NATO ASI Series, vol. C406, Kluwer, Dordrecht, 1993, pp. 99–112.
3. Application of self-consistent-fieldab initiocalculations to organic molecules
4. Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene
5. G. Fogarasi, P. Pulay, in: J.R. Durig (Ed.), Vibrational Spectra and Structure, vol. 14, Elsevier, Amsterdam, 1985, p.125.
Cited by
84 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Non-covalent interaction, topology, molecular properties, spectral and quantum chemical analysis of 2,5-dinitrophenol;Journal of the Indian Chemical Society;2024-10
2. Spectroscopic Approach, Biological Evaluation, DFT, Molecular Docking Analysis of 4-Acetamido-3-Nitrobenzoic Acid and its Derivatives;2023
3. 2-thioxo -3N-(2-ethoxyphenyl) -5[4′-methyl -3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation;Phosphorus, Sulfur, and Silicon and the Related Elements;2022-10-14
4. Identifying the meta, para and ortho isomers in octa(aminophenyl)silsesquioxane (OAPS) from joint experimental characterizations and theoretical predictions of the IR and NMR spectra;Journal of Molecular Structure;2022-10
5. Polymorphism and Conformational Equilibrium of Nitro-Acetophenone in Solid State and under Matrix Conditions;Molecules;2021-05-22