Ab Initio Coupled Cluster Determination of the Equilibrium Structures of cis- and trans-1,2-Difluoroethylene and 1,1-Difluoroethylene
Feller, David, Craig, Norman C, Groner, Peter, McKean, Donald C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.01.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.01.2011)
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Journal Article
Scaled Quantum Chemical Force Fields for 1,1-Difluorocyclopropane and the Influence of Vibrational Anharmonicity
McKean, Donald C, Craig, Norman C, Law, Mark M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.07.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.07.2008)
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Journal Article
Infrared Spectra of CF2CHD and CF2CD2: Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene
McKean, Donald C, Law, Mark M, Groner, Peter, Conrad, Andrew R, Tubergen, Michael J, Feller, David, Moore, Michael C, Craig, Norman C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2010)
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Journal Article
Vibrational Anharmonicity and Harmonic Force Fields for Dichloromethane from Quantum-Chemical Calculations
McKean, Donald C, Craig, Norman C, Law, Mark M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.10.2008)
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Journal Article
s-trans-1,3-Butadiene and Isotopomers: Vibrational Spectra, Scaled Quantum-Chemical Force Fields, Fermi Resonances, and C−H Bond Properties
McKean, Donald C, Craig, Norman C, Panchenko, Yurii N
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.07.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.07.2006)
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Journal Article
Infrared Spectrum and Structure of Me2TiCl2 and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl3 and Me2TiCl2
McGrady, G. Sean, Downs, Anthony J, Bednall, Neil C, McKean, Donald C, Thiel, Walter, Jonas, Volker, Frenking, Gernot, Scherer, Wolfgang
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.03.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.03.1997)
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Journal Article
Equilibrium Structures for Butadiene and Ethylene: Compelling Evidence for Π-Electron Delocalization in Butadiene
Craig, Norman C, Groner, Peter, McKean, Donald C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.06.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.06.2006)
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Journal Article
Quantum-Chemical Studies of Fluoroethanes: Vibrational Assignments, Isolated CH Stretching Frequencies, Valence Force Constants, and Bond Length Relationships
McKean, Donald C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.10.2000)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.10.2000)
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Journal Article
Vibrational Spectroscopy of 1,1-Difluorocyclopropane-d0, -d2, and -d4: The Equilibrium Structure of Difluorocyclopropane
CRAIG, Norman C., FELLER, David, GRONER, Peter, HSIN, Hong Yuan, MCKEAN, Donald C., NEMCHICK, Deacon J.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.04.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.04.2007)
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Journal Article
Ab Initio Studies of Disilazanes: Structures and Vibrational Properties of Hexachloro-, Hexamethyl-, and Tetrachlorodisilazane
Fleischer, Holger, McKean, Donald C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.02.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.02.1999)
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Journal Article
Vibrational and Quantum Chemical Studies of 1,2-Difluoroethylenes: Spectra of 1,2-13C2H2F2 Species, Scaled Force Fields, and Dipole Derivatives
Craig, Norman C, Petersen, Kathleen L, McKean, Donald C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.07.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.07.2002)
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Journal Article
Experimental and density functional theory studies of ethyltrichlorotitanium, EtTiCl3 and of the ethyl group in EtTiCl3 complexes : Vibrational properties of a β-agostic ethyl ligand
MCKEAN, Donald C, MCGRADY, G. Sean, DOWNS, Anthony J, SCHERER, Wolfgang, HAALAND, Arne
Published in Physical chemistry chemical physics : PCCP (2001)
Published in Physical chemistry chemical physics : PCCP (2001)
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Journal Article
Infrared and quantum-chemical studies of the structure and vibrations of methyldisilylamine
Fleischer, Holger, McKean, Donald C, Torto, Ivy, Boggs, James E
Published in Journal of molecular structure (06.02.2002)
Published in Journal of molecular structure (06.02.2002)
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Journal Article
Molecular Structure of Dimethyldichlorotitanium(IV) by Gas-Phase Electron Diffraction, IR and NMR Spectroscopies, and Density Functional Theory Calculations. Unexpected Distortion from Tetrahedral Coordination Geometry
McGrady, G. Sean, Downs, Anthony J, McKean, Donald C, Haaland, Arne, Scherer, Wolfgang, Verne, Hans-Peter, Volden, Hans Vidar
Published in Inorganic chemistry (31.07.1996)
Published in Inorganic chemistry (31.07.1996)
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