(Q61311660)

English

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields (English)
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P. J. Stephens
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F. J. Devlin
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C. F. Chabalowski
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M. J. Frisch
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November 1994
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98
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45
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11623-11627
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