Monte Carlo and Molecular Orbital Study of H2NO in Solution. Solvent Effects on the Molecular and Electronic Structures of H2NO

Hideto Takase; Osamu Kikuchi

doi:10.1021/j100070a036

Monte Carlo and Molecular Orbital Study of H2NO in Solution. Solvent Effects on the Molecular and Electronic Structures of H2NO

The Journal of Physical Chemistry ◽

10.1021/j100070a036 ◽

1994 ◽

Vol 98 (19) ◽

pp. 5160-5163 ◽

Cited By ~ 5

Author(s):

Hideto Takase ◽

Osamu Kikuchi

Keyword(s):

Monte Carlo ◽

Molecular Orbital ◽

Solvent Effects ◽

Electronic Structures ◽

Molecular Orbital Study ◽

Orbital Study

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Monte Carlo and molecular orbital study of carbon-centered radicals in water

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)80201-7 ◽

1994 ◽

Vol 306 (1) ◽

pp. 41-48 ◽

Cited By ~ 1

Author(s):

Hideto Takase ◽

Osamu Kikuchi

Keyword(s):

Monte Carlo ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Molecular orbital study for electronic structures of metallic microclusters

Journal of Non-Crystalline Solids ◽

10.1016/0022-3093(90)90932-c ◽

1990 ◽

Vol 117-118 ◽

pp. 281-284

Author(s):

Shoichi Sakamoto ◽

Fumiko Yonezawa ◽

Frederick Wooten ◽

Shuichi Nosé ◽

Motoo Hori

Keyword(s):

Molecular Orbital ◽

Electronic Structures ◽

Molecular Orbital Study ◽

Orbital Study

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Comparison of the Electronic Structures of Ruthenium Thionitrosyl and Ruthenium Nitrosyl Complexes: A Molecular Orbital Study

Journal of Coordination Chemistry ◽

10.1080/00958979009408229 ◽

1990 ◽

Vol 22 (4) ◽

pp. 307-313 ◽

Cited By ~ 6

Author(s):

K. K. Pandey

Keyword(s):

Molecular Orbital ◽

Electronic Structures ◽

Nitrosyl Complexes ◽

Ruthenium Nitrosyl ◽

Molecular Orbital Study ◽

Orbital Study

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Ab Initio Molecular Orbital Study of the Reactivity of Active Alkyl Groups. VII. Solvent Effects on the Formation of Enolate Isomers from 2-Butanone with Methoxide Anion in Methanol

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.54.731 ◽

2006 ◽

Vol 54 (5) ◽

pp. 731-734 ◽

Cited By ~ 1

Author(s):

Hirohito Ikeda ◽

Miho Yukawa ◽

Tokihiro Niiya

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Solvent Effects ◽

Molecular Orbital Study ◽

Orbital Study ◽

Alkyl Groups ◽

Methoxide Anion

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Monte Carlo and molecular orbital study of the (CH3)2NO radical in solution

Chemical Physics ◽

10.1016/0301-0104(94)85014-3 ◽

1994 ◽

Vol 181 (1-2) ◽

pp. 57-62 ◽

Cited By ~ 10

Author(s):

Hideto Takase ◽

Osamu Kikuchi

Keyword(s):

Monte Carlo ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Ab Initio Molecular Orbital Study on the Electronic Structures and Reactivity of Boron-Substituted Carbon

The Journal of Physical Chemistry A ◽

10.1021/jp048212w ◽

2004 ◽

Vol 108 (42) ◽

pp. 9180-9187 ◽

Cited By ~ 44

Author(s):

Xianxian Wu ◽

Ljubisa R. Radovic

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Electronic Structures ◽

Molecular Orbital Study ◽

Orbital Study

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The geometric and electronic structures of oxocarbons. An ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(81)85108-1 ◽

1981 ◽

Vol 76 (1) ◽

pp. 1-10 ◽

Cited By ~ 23

Author(s):

Leslie Farnell ◽

Leo Radom ◽

Mark A. Vincent

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Electronic Structures ◽

Molecular Orbital Study ◽

Orbital Study

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An INDO-UHF Molecular Orbital Study of the Conformations and Electronic Structures of Some σ-Type Radicals

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.50.376 ◽

1977 ◽

Vol 50 (2) ◽

pp. 376-379 ◽

Cited By ~ 3

Author(s):

Katsutoshi Ohkubo ◽

Hiroyuki Sato

Keyword(s):

Molecular Orbital ◽

Electronic Structures ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF THE DIBORONTETRAHYDRIDE MOLECULE

Chemischer Informationsdienst ◽

10.1002/chin.197817007 ◽

1978 ◽

Vol 9 (17) ◽

Author(s):

M. K. DATTA ◽

R. DATTA

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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ChemInform Abstract: MOLECULAR ORBITAL STUDY OF SUBSTITUTED TRIMETHYLENEMETHANE-BIS(PHOSPHINE)PALLADIUM COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198201084 ◽

1982 ◽

Vol 13 (1) ◽

Author(s):

D. J. GORDON ◽

R. F. FENSKE ◽

T. N. NANNINGA ◽

B. M. TROST

Keyword(s):

Molecular Orbital ◽

Palladium Complexes ◽

Molecular Orbital Study ◽

Orbital Study

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