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Gaussian, Inc.: Pittsburgh, PA, The vibrational frequencies and zero-point energies are calculated at the same level of theory
-
The quantum chemical calculations were carried out at the B3LYP/DZ level of theory with the GAUSSIAN 94 set of programs: GAUSSIAN 94, revision C.3; Gaussian, Inc.: Pittsburgh, PA, 1995. The vibrational frequencies and zero-point energies are calculated at the same level of theory.
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(1995)
GAUSSIAN 94, Revision C.3
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