海量图书期刊资源,随时随地畅享阅读乐趣
ChemInform Abstract: POTENTIAL ENERGY CHARACTERISTICS AND ENERGY PARTITIONING IN CHEMICAL REACTIONS: AB INITIO MO STUDY OF FOUR-CENTERED ELIMINATION REACTION MONOFLUOROETHAN â ETHYLENE + HYDROGEN FLUORIDEKATO, S.; MOROKUMA, K. · Chemischer Informationsdienst · 1981
Potential energy characteristics and energy partitioning in chemical reactions: Ab initio MO study of four-centered elimination reaction CH3CH2F→CH2=CH2+HFKato, Shigeki; Morokuma, Keiji · The Journal of Chemical Physics · 1980
Ab initio study on cyanamide and isocyanamideKazuo Ichikawa; Yoshiaki Hamada; Yoko Sugawara; Masamichi Tsuboi; Shigeki Kato; Keiji Morokuma · 1982
Ab initio study of m-benzoquinodimethaneKato, Shigeki; Morokuma, Keiji; Feller, David; Davidson, Ernest R.; Borden, Weston Thatcher · Journal of the American Chemical Society · 1983
Vibrational analysis of ethylamines: Trans and gauche formsYoshiaki Hamada; Kazuko Hashiguchi; Akiko Y Hirakawa; Masamichi Tsuboi; Munetaka Nakata; Mitsuo Tasumi; Shigeki Kato; Keiji Morokuma · 1983
Substitution effect on formaldehyde photochemistry. Potential surface characteristics of HFCOMorokuma, Keiji; Kato, Shigeki; Hirao, Kimihiko · The Journal of Chemical Physics · 1980
Potential energy surfaces of the reaction C++H2 → CH++HSakai, Shogo; Kato, Shigeki; Morokuma, Keiji; Kusunoki, Isao · The Journal of Chemical Physics · 1981
Ab initio molecular orbital study on the formic acid dimerHayashi, Soichi; Umemura, Junzo; Kato, Shigeki; Morokuma, Keiji · The Journal of Physical Chemistry · 1984
Ab initio SCF MO study on the force field of amidesYoko Sugawara; Akiko Y. Hirakawa; Masamichi Tsuboi; Shigeki Kato; Keiji Morokuma · 1986
Force field in the hydrazine molecule from ab initio MO calculationNaoki Tanaka; Yoshiaki Hamada; Yoko Sugawara; Masamichi Tsuboi; Shigeki Kato; Keiji Morokuma · 1983
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