Warren J. Hehre

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Warren J. Hehre, 幅田揚一, 2005 .

Ab initio molecular orbital calculations for 3,6‐dihydro‐1,2‐dithiin and 3,6‐dihydro‐1,2‐dioxin

Warren J. Hehre, Fillmore Freeman, Henry N. Po, 1993, J. Comput. Chem..

Ab initio molecular orbital calculations of 3, 4-dihydro-1, 2-dioxin, 3, 6-dihydro-1, 2-dioxin, 4H-1, 3-dioxin (1, 3-diox-4-ene), and 2, 3-dihydro-1, 4-dioxin (1, 4-dioxene)

Warren J. Hehre, Fillmore Freeman, Henry N. Po, 1997, J. Comput. Chem..

Ab initio molecular orbital study of energies and conformers of 3, 4-dihydro-1, 2-dithiin, 3, 6-dihydro-1, 2-dithiin, 4H-1, 3-dithiin, and 2, 3-dihydro-1, 4-dithiin

Warren J. Hehre, Fillmore Freeman, Henry N. Po, 1998, J. Comput. Chem..

Effect of electron correlation on theoretical equilibrium geometries

Steven K. Pollack, Warren J. Hehre, J. Stephen Binkley, 1979 .

Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes

Leo Radom, Warren J. Hehre, John A. Pople, 1972 .

An ab initio molecular orbital theory study of the conformational free energies of 2-methyl-, 3-methyl-, and 4-methyltetrahydro-2H-pyran

Warren J. Hehre, Fillmore Freeman, W. Hehre, 2001 .

Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first‐row transition metals

Warren J. Hehre, W. Hehre, K. D. Dobbs, 1987 .

Molecular orbital theory of the electronic structure of organic compounds. XVIII. Conformations and stabilities of trisubstituted methanes

Leo Radom, Warren J. Hehre, John A. Pople, 1973 .

Geometry optimization in cartesian coordinates: The end of the Z‐matrix?

Jon Baker, Warren J. Hehre, J. Baker, 1991 .

Practical strategies for electronic structure calculations

Warren J. Hehre, W. Hehre, 1995 .

A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials

Allan D. Headley, Warren J. Hehre, Robert W. Taft, 1986 .

A Continuum Solvation Model for the AM1 Semi-Empirical Method

Warren J. Hehre, Richard W. Dixon, Joseph M. Leonard, 1993 .

A Guide to Molecular Mechanics and Quantum Chemical Calculations

Warren J. Hehre, W. Hehre, 2003 .

AB INITIO Molecular Orbital Theory

Warren J. Hehre, W. Hehre, 1986 .

Representation of electron densities. 1. Sphere fits to total electron density surfaces

Robert F. Hout, Michelle Francl, Warren J. Hehre, 1984 .

Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

Leo Radom, Warren J. Hehre, John A. Pople, 1970 .

Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions

Leo Radom, Warren J. Hehre, John A. Pople, 1971 .

Computation of electron repulsion integrals involving contracted Gaussian basis functions

Warren J. Hehre, John A. Pople, J. Pople, 1978 .

Alkyl Substituent effects on the stability of protonated benzene

Paul von Ragué Schleyer, Warren J. Hehre, John A. Pople, 1974 .

Representations of molecular force fields. I. Ethane: Ab initio and model, harmonic and anharmonic

Warren J. Hehre, W. Hehre, L. Bartell, 1975 .

Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

Mark S. Gordon, Warren J. Hehre, J. Stephen Binkley, 1980 .

Molecular orbital theory of the properties of inorganic and organometallic compounds. 2. STO-NG basis sets for fourth-row main-group elements

Robert F. Hout, Edward S. Blurock, Warren J. Hehre, 1980 .

A pictorial approach to molecular structure and reactivity

Robert F. Hout, Warren J. Hehre, W. Hehre, 1984 .

Stereoelectronic effects in the gas-phase. 2. Negative ion reactions of 1,3-dithianes and 1,3-dithiane 1-oxides

Warren J. Hehre, S. D. Kahn, Marjorie C. Caserio, 1989 .

Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

Leo Radom, Warren J. Hehre, John A. Pople, 1972 .

Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

Mark S. Gordon, Michelle Francl, Warren J. Hehre, 1982 .