Structure and stability of various (C2,H5,Ge)+ ions: an ab initio molecular orbital study

Paola Antoniotti; Paola Benzi; Felice Grandinetti; Paolo Volpe

doi:10.1021/j100121a014

Structure and stability of various (C2,H5,Ge)+ ions: an ab initio molecular orbital study

The Journal of Physical Chemistry ◽

10.1021/j100121a014 ◽

1993 ◽

Vol 97 (19) ◽

pp. 4945-4950 ◽

Cited By ~ 9

Author(s):

Paola Antoniotti ◽

Paola Benzi ◽

Felice Grandinetti ◽

Paolo Volpe

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Structure And Stability ◽

Molecular Orbital Study ◽

Orbital Study

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Structure and stability of [H2, Cl, O]+ triplet state cations A G2 ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04935-4 ◽

1997 ◽

Vol 398-399 ◽

pp. 417-425 ◽

Cited By ~ 2

Author(s):

M. Manuel ◽

O. Mó ◽

M. Yáñez

Keyword(s):

Triplet State ◽

Ab Initio ◽

Molecular Orbital ◽

Structure And Stability ◽

Molecular Orbital Study ◽

Orbital Study

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Structure and stability of thiophene–hydrogen halide complexes: An ab initio molecular orbital study

Chemical Physics Letters ◽

10.1016/j.cplett.2005.03.081 ◽

2005 ◽

Vol 407 (1-3) ◽

pp. 222-226 ◽

Cited By ~ 9

Author(s):

Dong-Mei Huang ◽

Yi-Bo Wang ◽

Lisa M. Visco ◽

Fu-Ming Tao

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Hydrogen Halide ◽

Structure And Stability ◽

Molecular Orbital Study ◽

Orbital Study ◽

Halide Complexes

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ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF STRUCTURES AND ENERGIES OF SPIRO COMPOUNDS- SPIROPENTANE, SPIROPENTENE, SPIROPENTADIENE, SPIRO(2.4)HEPTA-4,6-DIENE, SPIRO(2.4)HEPTATRIENE, AND SPIRO(4.4)NONATETRAENE

Chemischer Informationsdienst ◽

10.1002/chin.197820069 ◽

1978 ◽

Vol 9 (20) ◽

Author(s):

J. KAO ◽

L. RADOM

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Spiro Compounds ◽

Molecular Orbital Study ◽

Orbital Study

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An ab initio molecular orbital study of the first step of the catalytic mechanism of thymidylate synthase: the Michael addition of sulfur and oxygen nucleophiles

The Journal of Organic Chemistry ◽

10.1021/jo00131a012 ◽

1995 ◽

Vol 60 (26) ◽

pp. 8375-8381 ◽

Cited By ~ 9

Author(s):

Bert E. Thomas ◽

Peter A. Kollman

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Thymidylate Synthase ◽

Michael Addition ◽

Catalytic Mechanism ◽

Molecular Orbital Study ◽

Orbital Study ◽

The Michael Addition

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Ab initio molecular orbital study of the gallium arsenide hydrides

The Journal of Physical Chemistry ◽

10.1021/j100173a022 ◽

1991 ◽

Vol 95 (20) ◽

pp. 7668-7673 ◽

Cited By ~ 12

Author(s):

Charles W. Bock ◽

Kerwin D. Dobbs ◽

Gilbert J. Mains ◽

Mendel Trachtman

Keyword(s):

Gallium Arsenide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Structures and stabilities of C6H3⨥6 isomers: an ab initio molecular orbital study

Chemical Physics Letters ◽

10.1016/0009-2614(85)80933-7 ◽

1985 ◽

Vol 113 (2) ◽

pp. 145-150 ◽

Cited By ~ 7

Author(s):

Wolfram Koch ◽

Helmut Schwarz

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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ab initio Molecular orbital study of disulphur dinitride, S2N2

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39760000701 ◽

1976 ◽

pp. 701 ◽

Cited By ~ 6

Author(s):

M. P. S. Collins ◽

B. J. Duke

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Ab Initio Molecular Orbital Study of Organometallic Complexes Containing Benzo[b]thiophene

Organometallics ◽

10.1021/om980224e ◽

1998 ◽

Vol 17 (17) ◽

pp. 3798-3808 ◽

Cited By ~ 6

Author(s):

Michael S. Palmer ◽

Stuart Rowe ◽

Suzanne Harris

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Organometallic Complexes ◽

Molecular Orbital Study ◽

Orbital Study

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An ab initio molecular orbital study of the SN2 reaction of H− with HF

Chemical Physics Letters ◽

10.1016/0009-2614(75)80123-0 ◽

1975 ◽

Vol 30 (2) ◽

pp. 293-295 ◽

Cited By ~ 3

Author(s):

Paul Baybutt

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Sn2 Reaction ◽

Orbital Study

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The geometries of biologically important ions in water clusters: ab initio molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00694-7 ◽

2002 ◽

Vol 578 (1-3) ◽

pp. 119-128

Author(s):

M Masamura

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Water Clusters ◽

Molecular Orbital Study ◽

Orbital Study

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