フォロー
Keiji Morokuma
Keiji Morokuma
所属不明
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タイトル
引用先
引用先
gaussian09
MJ Frisch
http://www. gaussian. com/, 2009
162283*2009
gaussian09
MJ Frisch
http://www. gaussian. com/, 2009
146846*2009
Gaussian 03, revision C. 02
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford, CT, 2004
181272004
A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
S Dapprich, I Komáromi, KS Byun, K Morokuma, MJ Frisch
Journal of Molecular Structure: THEOCHEM 461, 1-21, 1999
24291999
A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation
K Kitaura, K Morokuma
International Journal of Quantum Chemistry 10 (2), 325-340, 1976
24121976
ONIOM:  A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + …
M Svensson, S Humbel, RDJ Froese, T Matsubara, S Sieber, K Morokuma
The Journal of Physical Chemistry 100 (50), 19357-19363, 1996
23251996
Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O
K Morokuma
The Journal of Chemical Physics 55 (3), 1236-1244, 1971
22311971
IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states
F Maseras, K Morokuma
Journal of Computational Chemistry 16 (9), 1170-1179, 1995
20921995
Catalysis research of relevance to carbon management: progress, challenges, and opportunities
H Arakawa, M Aresta, JN Armor, MA Barteau, EJ Beckman, AT Bell, ...
Chemical reviews 101 (4), 953-996, 2001
16062001
Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
See also: URL: http://www. gaussian. com, 2009
1561*2009
Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity
K Morokuma
Accounts of Chemical Research 10 (8), 294-300, 1977
12231977
The ONIOM method and its applications
LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ...
Chemical reviews 115 (12), 5678-5796, 2015
10812015
The intrinsic reaction coordinate. An abinitio calculation for HNC→HCN and H+CH4→CH4+H
K Ishida, K Morokuma, A Komornicki
The Journal of Chemical Physics 66 (5), 2153-2156, 1977
10451977
Combining quantum mechanics methods with molecular mechanics methods in ONIOM
T Vreven, KS Byun, I Komáromi, S Dapprich, JA Montgomery Jr, ...
Journal of chemical theory and computation 2 (3), 815-826, 2006
10182006
Gaussian 16
F Lipparini, F Egidi, J Goings, B Peng, A Petrone, T Henderson, ...
Rev. C, 2016
10162016
The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n‐butane conformation and SN2 …
S Humbel, S Sieber, K Morokuma
The Journal of chemical physics 105 (5), 1959-1967, 1996
8801996
The origin of hydrogen bonding. An energy decomposition study
H Umeyama, K Morokuma
Journal of the American Chemical Society 99 (5), 1316-1332, 1977
8711977
GAUSSIAN Development Version, Revision D. 02, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT, 2004
7352004
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7312009
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
T Vreven, K Morokuma, Ö Farkas, HB Schlegel, MJ Frisch
Journal of computational chemistry 24 (6), 760-769, 2003
6972003
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論文 1–20