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

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

doi:10.1021/j100096a001

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

Shared by NobleBlocks on Nov 1, 1994 • 12:00 AM UTC

Authors:

Philip J. Stephens

F. J. Devlin

Cary F. Chabalowski

Abstract

ADVERTISEMENT RETURN TO ISSUEArticleNEXTAb Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force FieldsP. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. FrischCite this: J. Phys. Chem. 1994, 98, 45, 11623–11627Publication Date (Print):Nov...

Subject

Ab initio

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Density functional theory

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