Donald C. Mckean

Donald C. Mckean's AcademicInfluence.com Rankings

Donald C. Mckean

Chemistry

#4140

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#5203

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Organic Chemistry

#668

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#763

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Chemistry

Donald C. Mckean's Degrees

PhD Chemistry University of California, Berkeley
Bachelors Chemistry University of California, Berkeley

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Donald C. Mckean's Published Works

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Published Works

Individual CH bond strengths in simple organic compounds: effects of conformation and substitution (1978) (323)
Infrared crystal spectra of C2H4, C2D4, and as-C2H2D2 and the general harmonic force field of ethylene (1973) (206)
New light on the stretching vibrations, lengths and strengths of CH, SiH and GeH bonds (1984) (161)
Absolute Infrared Intensities of Vibration Bands in Ammonia and Phosphine (1956) (143)
CH stretching frequencies, bond lengths and dissociation energies (1973) (141)
Equilibrium structures for butadiene and ethylene: compelling evidence for pi-electron delocalization in butadiene. (2006) (130)
The ground state structures of disilane, methyl silane and the silyl halides, and an SiH bond length correlation with stretching frequency (1986) (111)
CH bond length variations due to the intramolecular environment: a comparison of the results obtained by the method of isolated CH stretching frequencies and by ab initio gradient calculations (1984) (94)
Accurate force constants from heavy isotopic substitution—I. 12CF4 and 13CF4 (1966) (78)
Bond Moments and Molecular Structure (1955) (72)
Vibrational spectra of nitromethanes and the effects of internal rotation (1976) (69)
CH stretching frequencies, bond lengths and strengths in halogenated ethylenes (1975) (69)
CHD2 spectra and Fermi resonance effects in the CH3 and CD3 stretching regions. Symmetrical CH3 groups (1973) (66)
The intensities of absorption bands in the methyl halides (1952) (58)
Infrared spectra of carbonyl fluorides and general harmonic force field (1975) (57)
Accurate force constants from heavy isotopic substitution—II. BF3, SiF4 and NO2 (1966) (51)
Infra-red and Raman spectra of dimethyl and trimethyl silanes and some deuterated derivatives (1960) (51)
Infrared Absorption Intensities and Bond Moments in BF3 and Related Molecules (1956) (50)
Infrared spectra and vibrational assignments in dimethylamines (1965) (47)
Isolated MH stretching frequencies, anharmonicities, and dissociation energies in silanes, germanes, phosphines, and arsines (1982) (47)
CH stretching frequencies, bond lengths and strengths in acetone, acetaldehyde, propene and isobutene (1975) (46)
CH bond lengths and strengths, unperturbed CH stretching frequencies, from partial deuteration infrared studies: t-Butyl compounds and propane (1974) (44)
CH bond dissociation energies, isolated stretching frequencies, and radical stabilization energy (1989) (41)
Vibrational spectra of crystalline dimethyl ethers (1971) (40)
Vibrational spectra and structure of trisilylamine and trisilylamine—d9 (1958) (40)
Isolated CH stretching frequencies, bond properties and fermi resonances in some CH3-N compounds (1975) (38)
The harmonic force field and ground-state average structure of allene (1977) (37)
Vibrational spectrum and harmonic force field of trimethylphosphine (1990) (37)
Microwave and infrared spectra of deuterium-substituted germyl halides and the structures of the germyl halides (1981) (35)
On isotopic substitution and the choice between alternative sets of force constants; with special reference to the cases of ethylene, ketene, diazomethane and formaldehyde (1971) (33)
Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity. (2008) (32)
Infrared spectra of deuterated methanols and force field (1974) (31)
Vibrational spectra of cis and trans but-2-enes: assignments, isolated CH stretching frequencies and CH bond lengths (1985) (29)
Infrared studies of CH and CD stretching anharmonicity (1988) (28)
Infrared intensities of ν3 and ν4 in SiH4, GeH4 and SnH4 (1994) (27)
SiH stretching anharmonicity, local-mode behaviour and dissociation energies in silane and methyl silanes (1984) (27)
Vibrational Intensities in F2CO: Some Corrections (1971) (27)
Vibrational anharmonicity and Fermi resonances in CHF2Cl (1988) (26)
Equilibrium structures for the cis and trans isomers of 1,2-difluoroethylene and the cis,trans isomer of 1,4-difluorobutadiene (2003) (25)
Force constants, interbond angle and solid state spectrum of disiloxane (1958) (25)
CH stretching frequencies and bond strengths, and methyl group geometry in CH3CXO compoundS (X = H, Me, F, Cl, Br, I, CN. OMe) and CH3CH2CN (1982) (24)
Frequency shifts from gas to crystal—II Infrared spectra of the silyl halides (1965) (24)
Ab initio coupled cluster determination of the equilibrium structures of cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene. (2011) (23)
Infrared intensities of CH stretching bands in partially deuterated compounds, and effects of conformation and substitution (1990) (23)
Infrared intensities in SiH4 and SiD4 (1962) (23)
Isolated CH stretching frequencies, CH bond lengths and strengths in ethyl and isopropyl halides (1975) (23)
CH stretching frequencies, bond strengths and the effects of internal rotation in some CH3-boron compounds (1977) (22)
Raman and infra-red spectra of methyl silane and some deuterated derivatives (1964) (22)
Intensities of vibration bands. IV. Carbonyl sulphide and acetylene (1951) (22)
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 (2001) (21)
Vibrational spectra and assignments of MeMn(CO)5 and MeRe(CO)5 species, energy-factored and A1 force fields, and a further effect of free internal rotation (1986) (21)
Methyl isocyanide: Spectroscopic studies of isotopically substituted species, and the general harmonic potential function (1979) (20)
Non-equivalent CH bonds in CH3 compounds, from CD2H infrared studies (1971) (20)
Infra-red intensifies in GeH4 (1965) (19)
Infra-red spectra of crystal—III. SiH4, GeH4, GeD4 and SnH4, pure and in matrices (1967) (18)
Infrared spectra of methylmanganese pentacarbonyl and methylrhenium pentacarbonyl species: methyl group geometry and the effects of internal rotation (1984) (18)
Isolated CH stretching frequencies, bond strengths and lengths in some mep and MeS compounds (1978) (17)
Vibrational spectra in the ν(SiH) and ν(SiD) regions of chloro and bromodisilanes and ab initio geometry studies of C2H5Cl, Si2H5Cl and 1,1-Si2H4Cl2 (1993) (17)
Vibrational spectra, isolated CH stretching frequencies and CH bond lengths in CH3OCH2X compounds (XF, Cl, Br, I) (1983) (17)
A correlation between isolated CH stretching frequencies and HCH bond angles in methyl groups (1976) (17)
Infrared spectra of (12)CF(2)=(12)CH(2) and (12)CF(2)=(13)CH(2), quantum-chemical calculations of anharmonicity, and analyses of resonances. (2010) (17)
Infrared spectra of CF(2)=CHD and CF(2)=CD(2): scaled quantum-chemical force fields and an equilibrium structure for 1,1-difluoroethylene. (2010) (16)
Vibrational spectra and assignments in di-t-butyl peroxide (1967) (16)
Quantum-Chemical Studies of Fluoroethanes: Vibrational Assignments, Isolated CH Stretching Frequencies, Valence Force Constants, and Bond Length Relationships (2000) (16)
Vibrational assignments from the infra-red crystal spectrum of dimethyl ether (1965) (16)
Isolated CH stretching frequencies, bond lengths and strengths in chloro-alkanes (1975) (16)
Isolated SiH and GeH stretching frequencies and bond strength differences in cyclopropyl and cyclopentyl silanes and germanes (1984) (16)
s-trans-1,3-butadiene and isotopomers: vibrational spectra, scaled quantum-chemical force fields, fermi resonances, and C-H bond properties. (2006) (16)
Comparison of empirical and ab initio force fields for phosphine (1984) (15)
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 (1996) (15)
Vibrational spectroscopy of 1,1-difluorocyclopropane-d0, -d2, and -d4: the equilibrium structure of difluorocyclopropane. (2007) (14)
Infrared spectra of dueterated methyl germanes and the geometries of some GeH compounds (1984) (14)
Studies of isolated GeH stretching frequencies—I. Data, assignments and effects of conformation (1983) (14)
Isolated CH stretching frequencies, methyl group geometry and dissociation energies in dimethyl zinc, cadmium and mercury (1980) (14)
Infrared spectra of MeTiCl3 species, methyl group geometry and a force field (1991) (14)
Infra-red spectrum of tetramethylhydrazine (1957) (13)
Infrared studies of SiH bonds and the structures of methylsilylamines and ethers (1993) (13)
On the assignment of SiH and SiD stretching frequencies: A reanalysis of the ν7 bands of Si2H6 and Si2D6 and a harmonic local mode force field for disilane (1992) (13)
Infrared Spectrum and Structure of Me2TiCl2 and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl3 and Me2TiCl2 (1997) (13)
The structure of dimethylamine (1983) (13)
Critical comparison of the ab initio and spectroscopic methyl‐CH bond length difference in acetyl compounds, CH3C(O) X (1984) (13)
Infrared spectra of dimethylsilylamines (1965) (13)
Intensities of vibration bands III. Nitrous oxide (1951) (12)
The effects of fluorine and chlorine substitution on bond lengths in ethanes and disilanes: comparisons of ab initio and experimental information (2000) (12)
The infra-red spectrum of carbon monoxide in a β-quinol clathrate (1962) (12)
The infrared spectrum of CHD2NC and the ground state structure of methyl isocyanide (1977) (12)
INFRARED SPECTRA OF CHLOROETHANE SPECIES, A SCALED AB INITIO FORCE FIELD, INFRARED INTENSITIES, ATOMIC POLAR TENSORS, AND EFFECTIVE CHARGES (1995) (12)
Vibrational properties of ethyltitanium trichloride and its 1,2-bis(dimethylphosphino)ethane adduct: characterisation of isolated ν(C–H) modes and implications for agostic bonding (1997) (12)
Vibrational and quantum chemical studies of 1,2-difluoroethylenes: Spectra of 1,2-13C2H2F2 species, scaled force fields, and dipole derivatives (2002) (11)
Intensities of Vibration Bands of Carbonyl Sulfide and Carbon Disulfide (1952) (11)
Vibrational spectra and structure of tetrasilylhydrazine and tetrasilylhydrazine-d12 (1960) (11)
Infrared spectra and methyl group properties in dicyclopentadienyldimethyl-titanium(IV), -zirconium(IV) and -hafnium(IV) (1986) (11)
Raman and infrared intensities in trimethylamine species, polarizability and dipole derivatives and effective charges (1995) (11)
Experimental and ab initio infrared intensities in dimethylether: Atomic polar tensors and atomic charges (1996) (11)
Carbon-hydrogen stretching vibrations as a probe of the structure of unstable organometallic species (1989) (10)
Infrared spectra of disilyl ethers: frequency studies (1970) (10)
Infrared and ab initio studies of molecules containing SiH bonds (1992) (10)
Vibrational spectra and structure of (SiH3)2CH2 and (SiD3)2CH2 (1970) (10)
Infra-red spectra of crystals—IV. Matrix shifts and the contribution from classical electrostatic forces (1967) (10)
Vibrational spectra of 1,1-dichloroethanes and βCH stretching interaction force constants (1977) (9)
Frequency shifts from gas to crystal—I: SiH4 and SiD4 (1962) (9)
Vibrational spectra and force field of dimethylphosphines (1980) (9)
Ab initio and density functional studies of the structure, vibrational spectra and force field of trimethylsilane (1999) (9)
Ab Initio Studies of Disilazanes: Structures and Vibrational Properties of Hexachloro-, Hexamethyl-, and Tetrachlorodisilazane (1999) (9)
INFRARED SPECTRUM OF CYCLOPENTADIENYLTRIMETHYLTITANIUM(IV) AND INVESTIGATION OF THE METHYL GROUP GEOMETRY THROUGH PARTIAL DEUTERATION STUDIES (1995) (9)
Infrared and Raman spectra of methyldisilylamines (1965) (8)
Infrared studies of SiH stretching vibrations in some CSiH systems and effects of conformation, substitution and change of phase (1985) (8)
CH stretching frequencies and vicinal CHCH stretching interaction constants in ethyl and isopropyl halides (1977) (8)
Infrared and Raman spectra of monochloro- and monobromodisilanes, a scaled ab initio force field, intensities, atomic polar tensors and effective charges for Si2H5Cl (1995) (7)
Isolated SnH stretching frequencies and conformer abundances in stannane and methyl and ethyl stannanes (1985) (7)
Isolated CH stretching frequencies, methyl group geometry, and methyl CH bond lengths and strengths in tricarbonyl(η5-cyclopentadienyl)methyl-chromium(II), -molybdenum(II), and -tungsten(II) (1985) (7)
Infrared spectra, methyl group structure and internal rotation in some methy - metal compounds (1986) (7)
Gas phase infrared contour simulation of isolated CH stretches in butane-d9 (1986) (7)
Isolated CH stretching, methyl group orientation and CH bond length in methylnitrate (1984) (7)
THE Si-F BOND MOMENT (1955) (6)
Infrared spectra of B(OMe)3, ClB(OMe)2 and Cl2BOMe species, isolated CH stretching frequencies and bond strengths (1989) (6)
Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations. (2008) (6)
Carbon–hydrogen bond properties and alkyl group geometries in dichloro(η5-cyclopentadienyl)-methyltitanium(IV) and dichloro(η5-cyclopentadienyl)-ethyltitanium(IV)[TiR(η5-C5H5)Cl2](R = Me or Et) (1995) (6)
Infrared spectra and quantum-chemical studies of disilylmethanes (2003) (6)
Bis(chloromethylsilyl)amine and bis(chloromethylsilyl)methylamine; preparation, reactivity and spectroscopic studies of their stereoisomers and conformers‡ (1998) (6)
Quantum-chemical studies of ethyl fluoride: structure, scaled force fields and electrical properties (2002) (6)
Infra-red spectra of 13CD3GeH3 and DFT studies of force constants and electrical properties in methylsilane and methylgermane (1997) (6)
Infrared and Quantum-Chemical Studies of Dimethylsilane (2002) (6)
Vibrational spectra of trimethyl gallium species in relation to the force field and methyl group internal rotation (1987) (5)
Infrared and Raman spectra of 1,1-dichlorodisilane species: a scaled ab initio force field, atomic polar tensors, dipole derivatives and atomic charges (1995) (5)
On the spectroscopic evidence for geometry in (SiH3)3P and (SiH3)3As (1968) (5)
Analysis of the ν2:ν3+ν4 Fermi resonance in CH3Cn isotopic species in solution (1988) (5)
Infrared and ab initio studies of compounds containing SiH bonds: Vibration-internal rotation spectra and silyl group geometry in PhSiHD2 (1992) (5)
Infrared and quantum-chemical studies of the structure and vibrations of trisilylamine. (2001) (4)
The harmonic force fields of dimethyl zinc, cadmium and mercury: A joint theoretical and experimental study (1992) (4)
SiH and GeH stretching frequency variations in rotational conformers of MHCH2X compounds (1982) (4)
Vibrational spectra of zinc, cadmium and mercury dimethyl species (1994) (4)
SiH stretching frequencies in chlorodisilanes and ab initio calculations of geometry, stretching frequency, vibrational intensity and Mulliken and King effective atomic charges (1996) (4)
Isolated CH stretching frequencies and bond properties in CH3CF3, CH2(CF3)2 and CH(CF3)3 (1979) (4)
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 (1996) (4)
Isolated CH stretching frequencies and bond properties in some organo-germanes and methyl arsines (1982) (4)
Bis(dichlorosilyl)methylamine – Synthesis, Crystal Structure, and Conformational Analysis in the Gas Phase (1999) (3)
Assignments of methyl rocking modes in trimethylphosphine (1983) (3)
Infrared intensities of some SiH-containing compounds in the gas-phase. (2005) (3)
On the Longitudinal Infrared Bands in Crystalline Carbon Dioxide (1970) (3)
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 (1995) (3)
Studies of isolated GeH stretching frequencies—II. Substituent and inductive effects (1983) (3)
Methyl group geometries, C–H bond properties and internal rotation in dicarbonyl(η5-cyclopentadienyl)methyl-iron(II) and -ruthenium(II), [MMe(η5-C5H5)(CO)2](M = Fe or Ru) (1995) (2)
Partial deuteriation studies, ethyl-group geometries and C–H bond properties in [MEt(cp)(CO)2](M = Fe or Ru) and [MEt(cp)(CO)3](M = Mo or W)(cp =η5-C5H5) (1995) (2)
Infrared and quantum-chemical studies of the structure and vibrations of methyldisilylamine (2002) (2)
INFRARED AND RAMAN SPECTRA OF 1,1-DIBROMODISILANES AND STO-3G* CALCULATIONS (1996) (2)
The dipole gradient for isolated CC stretches 2. Partially deuterated methyl fluoride, methyl chloride and methyl iodide (1993) (2)
Quantum chemical studies of the structures and vibrations of trisilylmethane and tetrasilylmethane (2004) (2)
A quantum-chemical study of the structure, vibrations and SiH bond properties of disilylamine, NH(SiH3)2. (2002) (2)
Quantum-chemical studies of methyl and silyl torsional frequencies and the structures of disilylsulphide and trisilylphosphine. (2005) (1)
The dipole change vector for isolated CH stretches 1. Partially deuterated methyl bromide (1993) (1)
CH Stretching Frequencies and Bond Strengths, and Methyl Group Geometry in CH3CXO Compounds (X: H, Me, F, Cl, Br, I, CN, OMe) and CH3CH2CN. (1982) (1)
CHD2 spectra and fermi resonances in the CH3 and CD3 stretching regions: Methyl cyanide (1974) (1)
Isotopic sohd solution frequencies and assignments in the 800 cm−1 region in dimethylsilanes (1965) (1)
Comparative study of the orientation of the dipole change vector for the isolated C-H stretch in partially deuterated alkyl halides (1993) (1)
INFRARED SPECTRA OF DIBROMOSILANE SPECIES AND QUANTUM MECHANICAL CALCULATIONS OF GEOMETRY, SCALED FORCE FIELDS AND ELECTRICAL PROPERTIES (1999) (1)
Vibrational intensities: by B.S. Galabov and T. Dudev, vol. 22 in the series Vibrational Spectra and Structure edited by J.R. Durig, Elsevier, Amsterdam, 1996, pp. 323, ISBN 0 444 814973, $240.75 (1997) (0)
The Dipole Gradient for Isolated C-H Stretches. Part 2. Partially Deuterated Methyl Fluoride, Methyl Chloride and Methyl Iodide. (1994) (0)
THE LAST LAP: HIGH-RESOLUTION INFRARED SPECTROSCOPY OF BUTADIENE-2.3-$^{13}${\it C}$_{2}$ (2005) (0)
Infrared and Raman spectra of trimethoxyborane isotopomers and quantum-chemical studies of structure and force field (2010) (0)
CH-Bond Length Variations Due to the Intramolecular Environment: A Comparison of the Results Obtained by the Method of Isolated CH Stretching Frequencies and by ab initio Gradient Calculations. (1984) (0)
INFRARED SPECTRA OF DEUTERATED METHYLGERMANES AND THE GEOMETRIES OF SOME GEH COMPOUNDS (1984) (0)
ISOLATED CH STRETCHING FREQUENCIES, BOND PROPERTIES, AND FERMI RESONANCES IN SOME METHYL-NITROGEN SINGLE BOND COMPOUNDS (1976) (0)
VIBRATIONAL BOND MOMENTS FROM OUT-OF-PLANE BENDING MODES IN $CHCl=CHCl$ AND $F_{2}C=CH_{2}^{*}$ (1955) (0)
Interpreting the CH Stretching Region, Through IR Partial Deuteration Studies (1989) (0)
Infrared gas-phase intensities and gas–crystal frequency shifts in Group IVB hydrides (1966) (0)
VIBRATIONAL SPECTRA, ISOLATED C-H STRETCHING FREQUENCIES AND C-H BOND LENGTHS IN CH3OCH2X COMPOUNDS (X = F, CL, BR, I) (1983) (0)
ISOLATED CARBON-HYDROGEN STRETCHING FREQUENCIES, METHYL GROUP GEOMETRY, AND METHYL CH BOND LENGTHS AND STRENGTHS IN TRICARBONYL(η5-CYCLOPENTADIENYL)METHYLCHROMIUM(II), -MOLYBDENUM(II), AND -TUNGSTEN(II) (1985) (0)
SEMI-EXPERIMENTAL EQUILIBRIUM STRUCTURES; RESULTS FROM DIFFERENT CALCULATIONS OF ALPHAS AND COMPARISON WITH THEORY (2007) (0)
INFRARED INTENSITIES IN $NH_{3}$ AND $PH_{3}^{*}$ (1954) (0)
VIBRATIONAL SPECTRA AND ASSIGNMENTS OF FUNDAMENTALS OF 1,1-DIFLUOROCYCLOPROPANE AND ITS d$_{2}$ AND d$_{4}$ ISOTOPOMERS (2006) (0)
Infrared spectra of MeMn(CO)5 and MeRe(CO)5 species: methyl group geometry and the effects of internal rotation (1984) (0)
VIBRATIONAL ANHARMONICITY IN ETHYLENE, METHYL FLUORIDE AND DICHLOROMETHANE: AN EXPLORATION USING GAUSSIAN 03 (2007) (0)
IR Studies of CH and CD Stretching Anharmonicity (1989) (0)

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