Digest
- 期刊名称Progress in Neurology and Psychiatry
- 卷第17卷
- 期第5期
- 印刷ISSN1367-7543
- 文件大小189.30KB
- 发表时间2013-09
- DOI10.1002/pnp.305
- 页码41-43
Direct ab initio molecular dynamics study ofYasuyuki Ishikawa; Hulusi Yilmaz; Takeshi Yanai; Takahito Nakajima; Kimihiko Hirao · 2004
A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithmYanai, Takeshi; Nakajima, Takahito; Ishikawa, Yasuyuki; Hirao, Kimihiko · The Journal of Chemical Physics · 2001
A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systemsYanai, Takeshi; Iikura, Hisayoshi; Nakajima, Takahito; Ishikawa, Yasuyuki; Hirao, Kimihiko · The Journal of Chemical Physics · 2001
New implementation of molecular double point-group symmetry in four-component relativistic Gaussian-type spinorsTakeshi Yanai; Robert J. Harrison; Takahito Nakajima; Yasuyuki Ishikawa; Kimihiko Hirao · 2007
Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F−(H2O) anion complexYasuyuki Ishikawa; Takahito Nakajima; Takeshi Yanai; Kimihiko Hirao · 2002
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