A complete basis set model chemistry. VI. Use of density functional geometries and frequencies

Frisch, M. J.; Montgomery, J A; Ochterski, J. W.; Petersson, G. A.

doi:10.1063/1.477924

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A complete basis set model chemistry. VI. Use of density functional geometries and frequencies

Author(s): J. A. Montgomery , M. J. Frisch , J. W. Ochterski , G. A. Petersson

Publication date Created: February 08 1999

Publication date (Print): February 08 1999

Journal: The Journal of Chemical Physics

Publisher: AIP Publishing

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A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke (1993)

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Gaussian-2 theory for molecular energies of first- and second-row compounds

Larry A. Curtiss, Krishnan Raghavachari, Gary Trucks … (1991)

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Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

Larry A. Curtiss, Krishnan Raghavachari, Paul Redfern … (1997)

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Journal

Title: The Journal of Chemical Physics

Abbreviated Title: The Journal of Chemical Physics

Publisher: AIP Publishing

ISSN (Print): 0021-9606

ISSN (Electronic): 1089-7690

Publication date Created: February 08 1999

Publication date (Print): February 08 1999

Volume: 110

Issue: 6

Pages: 2822-2827

Article

DOI: 10.1063/1.477924

SO-VID: 6c7e9f7a-304c-4ac7-9855-c4f31dbc4dc1

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A complete basis set model chemistry. VI. Use of density functional geometries and frequencies

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Abstract

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Functional role of amyloid

Most cited references 23

A new mixing of Hartree–Fock and local density-functional theories

Gaussian-2 theory for molecular energies of first- and second-row compounds

Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

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