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Author:Schlegel, H.B.

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9 matching references were found.

Ignacio, E.W.; Schlegel, H.B., Heats of formation of silicon hydrides and fluorides (SiHmFn) calculated by ab initio molecular orbital methods, J. Chem. Phys., 1990, 92, 5404-54. [all data]

Schlegel, H.B.; Skancke, A., Thermochemistry, energy comparisons, and conformational analysis of hydrazine, triazane, and triaminoammonia, J. Am. Chem. Soc., 1993, 115, 7465-71. [all data]

Fox, G.L.; Schlegel, H.B., An ab initio study of the vibrational frequencies and infrared intensities of difluoromethane, J. Chem. Phys., 1990, 92, 4351. [all data]

Schlegel, H.B.; Sosa, C., Abinitio study of ch2clch2 anc ch3chcl, structure and vib assign., J. Phys. Chem., 1984, 88, 1141. [all data]

DeFrees, D.J.; Raghavachari, K.; Schlegel, H.B.; Pople, J.A., J. Am. Chem. Soc., 1982, 104, 5576. [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]

Pople, J.A.; Krishna, R.; Schlegel, H.B.; Binkley, J.S., Int, J. Quantum Chem., 1978, 14, 545-60. [all data]

Schlegel, H.B.; Wolfe, S.; Bernardi, F., Ab initio computation of force constants. IV. The theoretical anharmonic force fields and vibrational frequencies of methylamine, methanol, and methanethiol, J. Chem. Phys., 1977, 67, 4181. [all data]

Bernardi, F.; Epiotis, N.D.; Cherry, W.; Schlegel, H.B.; Whangbo, M.H.; Wolfe, S., J. Am. Chem. Soc., 1976, 98, 469-78. [all data]