共 50 条
- [45] Comparative Quantum mechanical Static and Dynamic Approaches to Modelling Vibrational Spectra COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 1: ADVANCES IN COMPUTATIONAL SCIENCE, 2009, 1108 : 82 - 89
- [46] IR and Raman spectra, tautomeric stabilities, and scaled quantum mechanical force fields of protonated cytosine J Phys Chem, 13 (5578):
- [47] IR and Raman spectra, tautomeric stabilities, and scaled quantum mechanical force fields of protonated cytosine JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (13): : 5578 - 5589
- [48] THEORETICAL CALCULATION OF NUCLEAR MAGNETIC RESONANCE SPECTRA BY SEMI-EMPIRICAL METHODS . CHEMICAL SHIFTS - ORGN ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1970, (FEB): : 123 - &
- [49] Comparison of Molecular Mechanics, Semi-Empirical Quantum Mechanical, and Density Functional Theory Methods for Scoring Protein-Ligand Interactions JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (27): : 8075 - 8084