Ab Initio Molecular Orbital Study of Cation−π Binding between the Alkali-Metal Cations and Benzene

John B. Nicholas; Benjamin P. Hay; David A. Dixon

doi:10.1021/jp9837380

Ab Initio Molecular Orbital Study of Cation−π Binding between the Alkali-Metal Cations and Benzene

The Journal of Physical Chemistry A ◽

10.1021/jp9837380 ◽

1999 ◽

Vol 103 (10) ◽

pp. 1394-1400 ◽

Cited By ~ 96

Author(s):

John B. Nicholas ◽

Benjamin P. Hay ◽

David A. Dixon

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Metal Cations ◽

Alkali Metal Cations ◽

Molecular Orbital Study ◽

Orbital Study

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Anisole as an Ambidentate Ligand: Ab Initio Molecular Orbital Study of Alkali Metal Cations Binding to Anisole

The Journal of Physical Chemistry A ◽

10.1021/jp990570p ◽

1999 ◽

Vol 103 (48) ◽

pp. 9815-9820 ◽

Cited By ~ 34

Author(s):

John B. Nicholas ◽

Benjamin P. Hay

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Metal Cations ◽

Alkali Metal Cations ◽

Molecular Orbital Study ◽

Orbital Study ◽

Ambidentate Ligand

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Effect of ion-exchanged alkali metal cations on the photolysis of 2-pentanone included within ZSM-5 zeolite cavities: a study of ab initio molecular orbital calculations

Research on Chemical Intermediates ◽

10.1163/156856701745159 ◽

2001 ◽

Vol 27 (1-2) ◽

pp. 89-102 ◽

Cited By ~ 4

Author(s):

Hiromi Yamashita ◽

Makoto Nishimura ◽

Hirotada Bessho ◽

Shingo Takada ◽

Takahito Nakajima ◽

...

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Metal Cations ◽

Molecular Orbital Calculations ◽

Alkali Metal Cations

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15-P-07-Effects of ion-exchanged alkali metal cations on the photolysis of alkyl ketones included within ZSM-5 zeolite cavities: A study of ab-initio molecular orbital calculations

Studies in Surface Science and Catalysis - Zeolites and Mesoporous Materials at the dawn of the 21st century, Proceedings of the 13th International Zeolite Conference, ◽

10.1016/s0167-2991(01)81546-9 ◽

2001 ◽

pp. 256

Author(s):

H. Yamashita ◽

S. Takada ◽

M. Nishimura ◽

H. Bessho ◽

M. Anpo

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Metal Cations ◽

Molecular Orbital Calculations ◽

Alkali Metal Cations

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Changes in the structure of alkali-metal silicate glasses with the type of network modifier cation: an ab initio molecular orbital study

The Journal of Physical Chemistry ◽

10.1021/j100185a013 ◽

1992 ◽

Vol 96 (6) ◽

pp. 2455-2463 ◽

Cited By ~ 23

Author(s):

Takashi Uchino ◽

Tetsuo Sakka ◽

Yukio Ogata ◽

Matae Iwasaki

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Molecular Orbital ◽

Silicate Glasses ◽

Network Modifier ◽

Molecular Orbital Study ◽

Orbital Study ◽

Metal Silicate ◽

Modifier Cation

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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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