The structures of some dimers of carbon monoxide—an infrared matrix isolation spectroscopic and ab initio molecular orbital study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2005.09.044 ◽

2006 ◽

Vol 786 (2-3) ◽

pp. 168-174 ◽

Author(s):

L.M. Nxumalo ◽

E.K. Ngidi ◽

T.A. Ford

Keyword(s):

Carbon Monoxide ◽

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

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The structures of some trimers of carbon monoxide—An infrared matrix isolation spectroscopic and ab initio molecular orbital study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.11.037 ◽

2006 ◽

Vol 64 (5) ◽

pp. 1151-1155 ◽

Author(s):

Thomas A. Ford

Keyword(s):

Carbon Monoxide ◽

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

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Interaction between matrix isolated nickel difluoride and carbon monoxide. An ab initio molecular orbital study

Journal of the American Chemical Society ◽

10.1021/ja00480a006 ◽

1978 ◽

Vol 100 (12) ◽

pp. 3692-3698 ◽

Author(s):

S. Besnainou ◽

J. L. Whitten

Keyword(s):

Carbon Monoxide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

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Matrix-Isolation and ab Initio Molecular Orbital Study of 2,2,2-Trifluoroethylidene

Journal of the American Chemical Society ◽

10.1021/ja00105a049 ◽

1994 ◽

Vol 116 (26) ◽

pp. 12016-12021 ◽

Author(s):

John E. O'Gara ◽

William P. Dailey

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

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The structure of the boron trifluoride-ammonia complex: a Fourier transform matrix isolation infrared spectroscopic and ab initio molecular orbital study

Vibrational Spectroscopy ◽

10.1016/0924-2031(96)00021-5 ◽

1996 ◽

Vol 12 (2) ◽

pp. 221-235 ◽

Author(s):

L.M. Nxumalo ◽

M. Andrzejak ◽

T.A. Ford

Keyword(s):

Fourier Transform ◽

Ab Initio ◽

Molecular Orbital ◽

Boron Trifluoride ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

Orbital Study ◽

Ammonia Complex ◽

Infrared Spectroscopic ◽

Transform Matrix

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ChemInform Abstract: Matrix Isolation and ab initio Molecular Orbital Study of Fluorocyclopropenone and Fluoro(ketenyl)carbene.

10.1002/chin.199610076 ◽

2010 ◽

Vol 27 (10) ◽

pp. no-no

Author(s):

W. P. DAILEY

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

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ChemInform Abstract: INTERACTION BETWEEN MATRIX ISOLATED NICKEL DIFLUORIDE AND CARBON MONOXIDE. AN AB INITIO MOLECULAR ORBITAL STUDY

Chemischer Informationsdienst ◽

10.1002/chin.197837095 ◽

1978 ◽

Vol 9 (37) ◽

Author(s):

S. BESNAINOU ◽

J. L. WHITTEN

Keyword(s):

Carbon Monoxide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

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Matrix Isolation and ab Initio Molecular Orbital Study of Fluorocyclopropenone and Fluoro(ketenyl)carbene

The Journal of Organic Chemistry ◽

10.1021/jo00126a024 ◽

1995 ◽

Vol 60 (21) ◽

pp. 6737-6743 ◽

Author(s):

William P. Dailey

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Matrix Isolation ◽

Molecular Orbital Study ◽

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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 ◽

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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 ◽

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 ◽

Author(s):

Charles W. Bock ◽

Kerwin D. Dobbs ◽

Gilbert J. Mains ◽

Mendel Trachtman

Keyword(s):

Gallium Arsenide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

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