共 50 条
- [1] VIBRATIONAL ANALYSIS OF NUCLEIC-ACIDS .2. AB-INITIO CALCULATION OF THE MOLECULAR-FORCE FIELD AND NORMAL-MODES OF DIMETHYL-PHOSPHATE JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (31): : 12054 - 12062
- [3] JOINT TREATMENT OF AB-INITIO AND EXPERIMENTAL-DATA IN MOLECULAR-FORCE FIELD CALCULATIONS WITH TIKHONOVS METHOD OF REGULARIZATION JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02): : 1414 - 1424
- [4] Properties of phosphorothioate DNA analogs. An ab initio study of prototype model linkages derived from dimethyl-phosphate anion JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 460 (1-3): : 103 - 116
- [6] Vibrational spectra of medium size molecular systems from DFT and ab-initio quartic force field calculations IN THE FRONTIERS OF COMPUTATIONAL SCIENCE, 2005, 3 : 168 - 179
- [7] Electronic polarization and hydration of the dimethyl phosphate anion: An ab initio molecular dynamics study JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (24): : 5827 - 5832
- [9] Vibrational Analysis Beyond the Harmonic Regime From Ab-initio Molecular Dynamics Theoretical Chemistry Accounts, 2006, 116 : 347 - 354