共 50 条
- [32] Calculation of vibrational structure of astrochemically relevant ions using reparametrized semi-empirical methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
- [34] A semi-empirical approach for the calculations of vibrational spectra of some α 1,4 linked disaccharides SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS, 1997, : 567 - 568
- [35] APPLICATION OF SEMI-EMPIRICAL MO CALCULATIONS TO THE VIBRATIONAL-SPECTRA OF PALLADIUM(II) ANILINE COMPLEXES ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 196 : 241 - INOR
- [36] Modeling catalytic mechanism of nitrile hydratase by semi-empirical quantum mechanical calculation JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2008, 27 (04): : 522 - 528
- [40] Reparameterized semi-empirical methods for computing anharmonic vibrational frequencies of multiply-bonded hydrocarbons ELECTRONIC STRUCTURE, 2022, 4 (04):