Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H2, O + H2, and H‘ + HCl-Reference-Cited by-同舟云学术

Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H2, O + H2, and H‘ + HCl

Published:1997-08-01 Issue:35 Volume:101 Page:6280-6292
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Peterson Kirk A.¹,Dunning Thom H.²

Affiliation:

1. Department of Chemistry, Washington State University, and the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352

2. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp970676p

Reference63 articles.

1. General contraction of Gaussian basis sets. I. Atomic natural orbitals for first‐ and second‐row atoms

2. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

3. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

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

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

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