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

Stephens, P J; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J.

doi:10.1021/j100096a001

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

Author(s): P. J. Stephens , F. J. Devlin , C. F. Chabalowski , M. J. Frisch

Publication date Created: November 1994

Publication date (Print): November 1994

Journal: The Journal of Physical Chemistry

Publisher: American Chemical Society (ACS)

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Journal

Title: The Journal of Physical Chemistry

Abbreviated Title: J. Phys. Chem.

Publisher: American Chemical Society (ACS)

ISSN (Print): 0022-3654

ISSN (Electronic): 1541-5740

Publication date Created: November 1994

Publication date (Print): November 1994

Volume: 98

Issue: 45

Pages: 11623-11627

Article

DOI: 10.1021/j100096a001

SO-VID: c6ecfc0c-54ec-46e5-b09c-0d49aa843754

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