Molecular orbital theory of the properties of inorganic and organometallic compounds. 2. STO-NG basis sets for fourth-row main-group elements
Pietro, William J, Blurock, Edward S, Hout, Robert F, Hehre, Warren J, DeFrees, Douglas J, Stewart, Robert F
Published in Inorganic chemistry (01.11.1981)
Published in Inorganic chemistry (01.11.1981)
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Journal Article
On the conformational dependence of secondary .beta.-deuterium isotope effects
DeFrees, Douglas J, Hehre, Warren J, Sunko, Dionis E
Published in Journal of the American Chemical Society (01.04.1979)
Published in Journal of the American Chemical Society (01.04.1979)
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Journal Article
The C4H7+ cation. A theoretical investigation
Koch, Wolfram, Liu, Bowen, DeFrees, Douglas J
Published in Journal of the American Chemical Society (01.10.1988)
Published in Journal of the American Chemical Society (01.10.1988)
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Effect of electron correlation of theoretical equilibrium geometries. 2. Comparison of third-order perturbation and configuration interaction results with experiment
DeFrees, Douglas J, Raghavachari, Krishnan, Schlegel, H. Bernhard, Pople, John A
Published in Journal of the American Chemical Society (01.10.1982)
Published in Journal of the American Chemical Society (01.10.1982)
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Journal Article
Structure of the 2-norbornyl cation
Koch, Wolfram, Liu, Bowen, DeFrees, Douglas J
Published in Journal of the American Chemical Society (1989)
Published in Journal of the American Chemical Society (1989)
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Journal Article
In support of anionic hyperconjugation. The versatile methyl group
DeFrees, Douglas J, Bartmess, John E, Kim, Jhong K, McIver, Robert T, Hehre, Warren J
Published in Journal of the American Chemical Society (01.09.1977)
Published in Journal of the American Chemical Society (01.09.1977)
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Journal Article
The proton affinities of phenol
DeFrees, Douglas J, McIver, Robert T, Hehre, Warren J
Published in Journal of the American Chemical Society (01.03.1977)
Published in Journal of the American Chemical Society (01.03.1977)
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Journal Article
Isotope effects on gas phase reaction processes. 2. Equilibrium isotope effects on the proton transfer reactions of methylbenzenes
Wolf, J. Fredrick, Devlin, John L, DeFrees, Douglas J, Taft, Robert W, Hehre, Warren J
Published in Journal of the American Chemical Society (01.08.1976)
Published in Journal of the American Chemical Society (01.08.1976)
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Journal Article
Heat of formation and adiabatic electron affinity of amidogen
DeFrees, Douglas J, Hehre, Warren J, McIver, Robert T, McDaniel, Darl H
Published in Journal of physical chemistry (1952) (01.01.1979)
Published in Journal of physical chemistry (1952) (01.01.1979)
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Journal Article
Structures of C4
Whiteside, Robert A., Krishnan, Raghavachari, Defrees, Douglas J., Pople, John A., Von R.^Schleyer, Paul
Published in Chemical physics letters (15.03.1981)
Published in Chemical physics letters (15.03.1981)
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Journal Article
Experimental and theoretical IR spectra of the 2-norbornyl cation
Koch, W, Liu, B, DeFrees, D J, Sunko, D E, Vancik, H
Published in Angewandte Chemie International Edition (01.02.1990)
Published in Angewandte Chemie International Edition (01.02.1990)
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Journal Article
Structures of C 4
Whiteside, Robert A., Krishnan, Raghavachari, Defrees, Douglas J., Pople, John A., Von R.^Schleyer, Paul
Published in Chemical physics letters (1981)
Published in Chemical physics letters (1981)
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Journal Article
Electronic spectra of gas phase ions. An equilibrium perturbation approach
Defrees, Douglas J., Hehre, Warren J., McIver, Robert T.
Published in Chemical physics letters (01.01.1976)
Published in Chemical physics letters (01.01.1976)
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