International Journal

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

Authors

Philip J. Stephens, Frank J. Devlin, Cary F. Chabalowski, Michael J. Frisch

Journal

The Journal of Physical Chemistry

Year Published

1994

Publisher

American Chemical Society

Citations

23344 citations

Type

Article

Language

EN

Topics & Concepts

Ab initio (0.64) Icon (0.56) Density functional theory (0.48) Citation (0.46) Absorption (acoustics) (0.45)

Abstract

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields - Full text available via OpenAlex

Author Details

Philip J. Stephens

Frank J. Devlin

Cary F. Chabalowski

Michael J. Frisch

ORCID

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