Effect of electron correlation on theoretical vibrational frequencies von Hout Jr, Robert F., Levi, Beverly A., Hehre, Warren J.

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A method for the calculation of normal-mode vibrational frequencies using symmetry coordinates. Application to the calculation of secondary deuterium isotope effects on carbocation... von Hout Jr, Robert F., Levi, Beverly A., Hehre, Warren J.

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Orbital photography von Hout Jr, Robert F., Pietro, William J., Hehre, Warren J.

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Atomic fits to electron densities in polyatomic molecules. Correlation of atom size and charge von Hout, Robert F, Hehre, Warren J

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Direct calculation of equilibrium constants for isotopic exchange reactions by ab initio molecular orbital theory von Hout, Robert F, Wolfsberg, Max, Hehre, Warren J

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