共 50 条
- [1] New approaches to anharmonic vibrational spectroscopy in large moleculesABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248Cheng, XiaoluSteele, Ryan P.
- [2] Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinatesJOURNAL OF CHEMICAL PHYSICS, 2014, 141 (10):Cheng, XiaoluSteele, Ryan P.
- [3] Calculation of anharmonic vibrational spectroscopy of small biological moleculesPHYSCHEMCOMM, 2002, 5 : 142 - 150Gerber, RBBrauer, BGregurick, SKChaban, GM
- [4] On the benefits of localized modes in anharmonic vibrational calculations for small moleculesJOURNAL OF CHEMICAL PHYSICS, 2016, 144 (16):Panek, Pawel T.Jacob, Christoph R.
- [5] Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: Ab initio anharmonic calculations and experimentsJOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (31): : 7374 - 7381Adesokan, Adeyemi A.Chaban, Galina M.Dopfer, OttoGerber, R. Benny
- [6] Anharmonic vibrational spectroscopy calculations with electronic structure potentials: comparison of MP2 and DFT for organic moleculesTHEORETICAL CHEMISTRY ACCOUNTS, 2008, 120 (1-3) : 273 - 279Chaban, Galina M.Gerber, R. Benny
- [7] Anharmonic vibrational spectroscopy calculations with electronic structure potentials: comparison of MP2 and DFT for organic moleculesTheoretical Chemistry Accounts, 2008, 120 : 273 - 279Galina M. ChabanR. Benny Gerber
- [8] Vibrational densities of states for large anharmonic molecules: An analytic representationCHEMICAL PHYSICS LETTERS, 2008, 458 (4-6) : 295 - 298Strekalov, M. L.
- [9] Vibrational spectroscopy of the G•••C base pair:: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplingsJOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (31): : 6974 - 6984Brauer, BGerber, RBKabelác, MHobza, PBakker, JMRiziq, AGAde Vries, MS
- [10] Efficient Calculation of Anharmonic Vibrational Spectra of Large Molecules with Localized ModesCHEMPHYSCHEM, 2014, 15 (15) : 3365 - 3377Panek, Pawel T.Jacob, Christoph R.