Theoretical characterization of the potential energy surface for H+O2 = HO*2 = OH+O. III. Computed points to define a global potential energy surface-Reference-Cited by-同舟云学术

Theoretical characterization of the potential energy surface for H+O2 = HO*2 = OH+O. III. Computed points to define a global potential energy surface

Published:1991-06-01 Issue:11 Volume:94 Page:7068-7075
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Walch Stephen P.¹,Duchovic Ronald J.¹

Affiliation:

1. ELORET Institute, 3788 Fabian Way, Palo Alto, California 94303

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference29 articles.

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3. J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987).JCPSA60021-9606

4. J. Almlöf, MOLECULE, a vectorized Gaussian integral program.

5. SWEDEN is a vectorized SCF-MCSCF-direct CI-conventional CI-CPF-MCPF program written by P. E. M. Siegbahn, C. W. Bauschlicher, Jr., B. Roos, P. R. Taylor, A. Heiberg, J. Almlöf, S. R. Langhoff, and D. P. Chong.

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