The Theoretical Prediction of Molecular Radical Species: a Systematic Study of Equilibrium Geometries and Harmonic Vibrational Frequencies-Reference-Cited by-同舟云学术

The Theoretical Prediction of Molecular Radical Species: a Systematic Study of Equilibrium Geometries and Harmonic Vibrational Frequencies

Published:2001-10-01 Issue:42 Volume:105 Page:9736-9747
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Byrd Edward F. C.¹,Sherrill C. David¹,Head-Gordon Martin¹

Affiliation:

1. Department of Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp011132x

Reference62 articles.

1. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

2. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

3. Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

4. Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

5. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

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