Ab initio molecular orbital calculations of the infrared spectra of interacting water molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80093-9 ◽

1988 ◽

Vol 180 ◽

pp. 241-265 ◽

Author(s):

M.J. Bräsler ◽

V.C.E. Carr ◽

M.G. Gerazounis ◽

N.R. Jugga ◽

G.A. Yeo ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Water Molecules ◽

Molecular Orbital Calculations

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Ab initio molecular orbital calculations of the infrared spectra of water molecules in some intermolecular complexes

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(85)85017-x ◽

1985 ◽

Vol 133 ◽

pp. 193-209 ◽

Author(s):

S. Chin ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Water Molecules ◽

Molecular Orbital Calculations ◽

Intermolecular Complexes

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Ab Initio Molecular Orbital Calculations of the Infrared Spectra of Interacting Water Molecules. Complexes of Water with Carbon Dioxide and Nitrous Oxide

Structures and Conformations of Non-Rigid Molecules ◽

10.1007/978-94-011-2074-6_19 ◽

1993 ◽

pp. 391-408 ◽

Author(s):

A. J. Cox ◽

T. A. Ford ◽

L. Glasser

Keyword(s):

Carbon Dioxide ◽

Nitrous Oxide ◽

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Water Molecules ◽

Molecular Orbital Calculations

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Ab initio molecular orbital calculations of the infrared spectra of interacting water molecules part 2. complexes of water with carbon monoxide and nitrogen

Journal of Molecular Structure ◽

10.1016/0022-2860(92)80180-p ◽

1992 ◽

Vol 275 ◽

pp. 33-54 ◽

Author(s):

T.D. Mokomela ◽

I. Rencken ◽

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Carbon Monoxide ◽

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Water Molecules ◽

Molecular Orbital Calculations

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Ab initio molecular orbital calculations of the infrared spectra of interacting water molecules. Part 4. Interaction energies and band intensities of the complexes of water with carbon dioxide and nitrous oxide

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(09)80011-0 ◽

1994 ◽

Vol 312 (1) ◽

pp. 101-108 ◽

Author(s):

A.J. Cox ◽

T.A. Ford ◽

L. Glasser

Keyword(s):

Carbon Dioxide ◽

Nitrous Oxide ◽

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Water Molecules ◽

Molecular Orbital Calculations ◽

Interaction Energies

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Ab initio molecular orbital calculations of the properties of the van der Waals complexes MH4·HX (M = C, Si, X = F, Cl). Part 2. The infrared spectra

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)04055-w ◽

1995 ◽

Vol 338 (1-3) ◽

pp. 141-153 ◽

Author(s):

M.G. Govender ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Molecular Orbital Calculations

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Ab initio molecular orbital calculations of the infrared spectra of hydrogen bonded complexes of water, ammonia and hydroxylamine. Part 10. The intermolecular vibrational modes

Journal of Molecular Structure ◽

10.1016/0022-2860(92)80066-q ◽

1992 ◽

Vol 266 ◽

pp. 183-204 ◽

Author(s):

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Molecular Orbital Calculations ◽

Vibrational Modes ◽

Bonded Complexes ◽

Hydrogen Bonded

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Ab initio molecular orbital calculations of the infrared spectra of hydrogen-bonded complexes of water, ammonia and hydroxylamine. Part 11. The atomic polar tensors, and their invariants, of the monomers and the binary hydrogen-bonded complexes

Journal of Molecular Structure ◽

10.1016/0022-2860(92)85044-h ◽

1992 ◽

Vol 270 ◽

pp. 417-439 ◽

Author(s):

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Molecular Orbital Calculations ◽

Bonded Complexes ◽

Hydrogen Bonded

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Ab initio molecular orbital calculations of the infrared spectra of hydrogen bonded complexes of water, ammonia and hydroxylamine. I. Effect of choice of basis set on the predicted geometries and spectra of the monomers

Journal of Molecular Structure ◽

10.1016/0022-2860(86)80344-1 ◽

1986 ◽

Vol 141 ◽

pp. 331-340 ◽

Author(s):

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Basis Set ◽

Molecular Orbital Calculations ◽

Bonded Complexes ◽

Hydrogen Bonded

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Ab initio molecular orbital calculations of the infrared spectra of hydrogen bonded complexes of water, ammonia and hydroxylamine

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80359-2 ◽

1988 ◽

Vol 168 ◽

pp. 247-264 ◽

Author(s):

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Molecular Orbital Calculations ◽

Bonded Complexes ◽

Hydrogen Bonded

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Ab initio molecular orbital calculations of the infrared spectra of hydrogen-bonded complexes of water, ammonia and hydroxylamine

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85092-l ◽

1991 ◽

Vol 235 (1-2) ◽

pp. 123-136 ◽

Author(s):

G.A. Yeo ◽

T.A. Ford

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Infrared Spectra ◽

Molecular Orbital Calculations ◽

Bonded Complexes ◽

Hydrogen Bonded

Download Full-text