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Author:Hehre, W.J.

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28 matching references were found.

Arnett, E.M.; Chawla, B.; Bell, L.; Taagepera, M.; Hehre, W.J.; Taft, R.W., Solvation and hydrogen bonding of pyridinium ions, J. Am. Chem. Soc., 1977, 99, 5729. [all data]

Taft, R.W.; Taagepera, M.; Abboud, J.L.M.; Wolf, J.F.; DeFrees, D.J.; Hehre, W.J.; Bartmess, J.E.; McIver, R.T., Jr., Regarding the separation of polarizability and inductive effects in gas- and solution-phase proton transfer equilibria, J. Am. Chem. Soc., 1978, 100, 7765. [all data]

DeFrees, D.J.; McIver, R.T., Jr.; Hehre, W.J., Heats of formation of gaseous free radicals via ion cyclotron double resonance spectroscopy, J. Am. Chem. Soc., 1980, 102, 3334. [all data]

Pollack, S.K.; Raine, B.C.; Hehre, W.J., Determination of the heats of formation of the isomeric xylylenes by ion cyclotron resonance spectroscopy, J. Am. Chem. Soc., 1981, 103, 6308. [all data]

DeFrees, D.J.; Hehre, W.J., J. Phys. Chem., 1978, 82, 391. [all data]

Pollack, S.K.; Hehre, W.J., Tetrahedron Lett., 1980, 21, 2483. [all data]

Pau, C.F.; Hehre, W.J., J. Phys. Chem., 1982, 86, 321. [all data]

Pollack, S.K.; Hehre, W.J., The enol of acetone, J. Am. Chem. Soc., 1977, 99, 4845-4846. [all data]

DeFrees, D.J.; Hehre, W.J., Methyleneimine, J. Phys. Chem., 1978, 82, 391-393. [all data]

Pollack, S.K.; Hehre, W.J., Determination of the heat of formation of ortho-benzyne by ion cyclotron resonance spectroscopy, Tetrahedron Lett., 1980, 21, 2483-2486. [all data]

Pollack, S.K.; Raine, B.C.; Hehre, W.J., Determination of the heats of formation of the isomeric xylylenes by ion cyclotron double-resonance spectroscopy, J. Am. Chem. Soc., 1981, 103, 6308-6313. [all data]

Pau, C-F.; Hehre, W.J., Heat of formation of hydrogen isocyanide by ion cyclotron double resonance spectroscopy, J. Phys. Chem., 1982, 86, 321-322. [all data]

Pau, C-F.; Hehre, W.J., Relative thermochemical stabilities of hydroxymethylene and formaldehyde by ion cyclotron double resonance spectroscopy, J. Phys. Chem., 1982, 86, 1252-12. [all data]

Kahn, S.D.; Hehre, W.J.; Bartmess, J.E.; Caldwell, G., Effect of Metal Complexation on the Gas-phase Acidities of Alkylbenzenes, Organomet., 1984, 3, 11, 1740, https://doi.org/10.1021/om00089a024 . [all data]

Pople, J.A.; Schlegel, H.B.; Krishna, R.; DeFrees, D.J.; Binkley, J.S.; Frisch, M.J.; Whiteside, R.A.; Hout, R.F.; Hehre, W.J., Int. J. Quantum Chem., Quantum Chem. Symp., 1981, 15, 269. [all data]

DeFrees, D.J.; McIver, R.T.; Hehre, W.J., J. Am. Chem. Soc., 1980, 102, 3334-8. [all data]

DeFrees, D.J.; Hehre, W.J.; McIver, R.T.; McDaniel, D.H., Heat of formation and adiabatic electron affinity of NH2, J. Phys. Chem., 1979, 83, 232. [all data]

Levi, B.A.; Taft, R.W.; Hehre, W.J., J. Am. Chem. Soc., 1977, 99, 8454. [all data]

Devaquet, A.J.P.; Townshend, R.E.; Hehre, W.J., J. Am. Chem. Soc., 1976, 98, 4068-76. [all data]

Radom, L.; Lathan, W.A.; Hehre, W.J.; Pople, J.A., Molecular Orbital Theory of the Electronic Structure of Organic Compounds XVII. Internal Rotation in 1,2-Disubstituted Ethanes, J. Am. Chem. Soc., 1973, 95, 693. [all data]

Lathan, W.A.; Radom, L.; Hehre, W.J.; Pople, J.A., Molecular Orbital Theory of the Electronic Structure of Organic Compounds. XVIII. Conformations and Stabilities of Trisubstituted Methanes, J. Am. Chem. Soc., 1973, 95, 699. [all data]

Radom, L.; Hehre, W.J.; Pople, J.A., J. Am. Chem. Soc., 1972, 94, 2371. [all data]

Radom, L.; Hehre, W.J.; Pople, J.A.; Carlson, G.L.; Fateley, W., J. Chem. Soc., 1972, 1972, 308. [all data]

Radom, L.; Lathan, W.A.; Hehre, W.J.; Pople, J.A., Internal rotation in some organic molecules containing methyl, amino, hydroxyl and formyl groups, Aust. J. Chem., 1972, 25, 1601. [all data]

Hehre, W.J.; Radom, L.; Pople, J.A., Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes, J. Am. Chem. Soc., 1972, 94, 1496. [all data]

Radom, L.; Hehre, W.J.; Pople, J.A., Molecular orbital theory of the electronic structure of organic compounds. VII. a systematic study of energies, conformations, and bond interactions, J. Am. Chem. Soc., 1971, 93, 289. [all data]

Radom, L.; Lathan, W.A.; Hehre, W.J.; Pople, J.A., Molecular orbital theory of the electronic structure of organic compounds. VIII. geometries, energies, and polarities of c3 hydrocarbons, J. Am. Chem. Soc., 1971, 93, 5339. [all data]

Lathan, W.A.; Hehre, W.J.; Pople, J.A., Molecular orbital theory of the electronic structure of organic compounds. VI. geometries and energies of small hydrocarbons, J. Am. Chem. Soc., 1971, 93, 808. [all data]