D.C. McKean

University of Edinburgh — United Kingdom

Physics and Astronomy · Physical Sciences

39h-index5.1kcitations175works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(91), Molecular Spectroscopy and Structure(87), Spectroscopy and Laser Applications(32), Solid-state spectroscopy and crystallography(23), Crystallography and molecular interactions(21)

Publications175 total

Infrared intensities of some SiH-containing compounds in the gas-phase
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2004· 4 cited
Infrared and Quantum-Chemical Studies of Dimethylsilane
Journal of Molecular Spectroscopy·2002· 8 cited
Quantum-chemical studies of ethyl fluoride: structure, scaled force fields and electrical properties
Journal of Molecular Structure·2002· 9 cited
Infrared and quantum-chemical studies of the structure and vibrations of trisilylamine
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2001· 7 cited
The effects of fluorine and chlorine substitution on bond lengths in ethanes and disilanes: comparisons of ab initio and experimental information
Journal of Molecular Structure THEOCHEM·2000· 16 cited
Ab initio and density functional studies of the structure, vibrational spectra and force field of trimethylsilane
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1999· 16 cited
CCDC 105989: Experimental Crystal Structure Determination
The Cambridge Structural Database·1999Open Access
Vibrational intensities
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1997· 30 cited
Experimental and ab initio infrared intensities in dimethylether: Atomic polar tensors and atomic charges
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1996· 13 cited
Infrared and Raman spectra of 1,1-dibromodisilanes and STO-3G∗ calculations
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1996· 8 cited
SiH stretching frequencies in chlorodisilanes and ab initio calculations of geometry, stretching frequency, vibrational intensity and Mulliken and King effective atomic charges
Journal of Molecular Structure·1996· 7 cited
Ab initio calculations of vibrational properties and conformer stabilities in 1,2-Si2H4Cl2, 1,1,2-Si2H3Cl3 and 1,1,1-Si2H3Cl3, and comparisons with observed infrared and Raman spectra
Journal of Molecular Structure·1996· 5 cited
Infrared and Raman spectra of 1,1-dichlorodisilane species: a scaled ab initio force field, atomic polar tensors, dipole derivatives and atomic charges
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1995· 12 cited
Raman and infrared intensities in trimethylamine species, polarizability and dipole derivatives and effective charges
Journal of Raman Spectroscopy·1995· 13 cited
Infrared Spectra of Chloroethane Species, a Scaled ab Initio Force Field, Infrared Intensities, Atomic Polar Tensors, and Effective Charges
The Journal of Physical Chemistry·1995· 20 cited
ChemInform Abstract: Rovibrational Studies of Isotopic Methyl Silanes
ChemInform·1995
Experimental and theoretical infrared intensities of the fundamental bands of zinc, cadmium and mercury dimethyls; electro-optical parameters, atomic polar tensors and effective atomic charges
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1995· 5 cited
Infrared and Raman spectra of monochloro- and monobromodisilanes, a scaled ab initio force field, intensities, atomic polar tensors and effective charges for Si2H5Cl
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·1995· 13 cited
ジクロロ(η5‐シクロペンタジエニル)メチルチタニウム(IV)及びジクロロ(η5‐シクロペンタジエニル)エチルチタニウム(IV)[TiR(η5‐C5H5)Cl2](R=Me又はEt)における炭素‐水素結合特性及びアルキル基の幾何学構造
Journal of the Chemical Society. Dalton transactions·1995
Rovibrational Studies of Isotopic Methyl Silanes
Journal of Molecular Spectroscopy·1994· 12 cited
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Frequent Co-authors

J.L. Duncan(17), P.D. Mallinson(4), G.D. Nivellini(3), A. Allan(3), A.R. Morrisson(3), J. Perez Peña(2), J.H. Holloway(2), William F. Murphy(2), Francesco Zerbetto(2), I. Torto(2), D.F. Ball(2), L. A. Woodward(2), M.W. Mackenzie(2), J.C. Lavalley(2), L. Batt(1), P. N. Schatz(1), J.L. Harvie(1), Stephen Cradock(1), F. Tullini(1), G.K. Speirs(1)