海量图书期刊资源,随时随地畅享阅读乐趣
Vibrational spectra of difluorosilane from a hybrid ab initio and DFT quartic force fieldDidier Begue; Philippe Carbonniere; Vincenzo Barone; Claude Pouchan · 2005
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid moleculesPhilippe Carbonniere; Tecla Lucca; Claude Pouchan; Nadia Rega; Vincenzo Barone · 2005
Performance of ab initio and DFT PCM methods in calculating vibrational spectra in solution: Formaldehyde in acetonitrile as a test caseDidier Begue; Philippe Carbonniere; Vincenzo Barone; Claude Pouchan · 2005
Steered transition path samplingGuttenberg, Nicholas; Dinner, Aaron R.; Weare, Jonathan · The Journal of Chemical Physics · 2012
Mixing normal and anomalous diffusionGeyer, Tihamér · The Journal of Chemical Physics · 2012
Perspective: Supercooled liquids and glassesEdiger, M. D.; Harrowell, Peter · The Journal of Chemical Physics · 2012
Microwave Absorption in Compressed CO2Ho, W. · The Journal of Chemical Physics · 1966
Perspective: Nonadiabatic dynamics theoryTully, John C. · The Journal of Chemical Physics · 2012
Thermodynamics of Crystals and MeltingBorn, Max · The Journal of Chemical Physics · 1939
Magnetic Equivalence of Nuclear SpinsMusher, J. I. · The Journal of Chemical Physics · 1967
Equation of State for Hard SpheresThiele, Everett · The Journal of Chemical Physics · 1963