Quasi-ab initio dynamics: a test trajectory study of the H+H2 reaction using energies and gradients based on scaling of the external correlation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference24 articles.
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2. N.C. Handy, J.F. Gaw, E.D. Simandiras, J. Chem. Soc., Faraday Trans. 2 (1987) 83 1577.
3. Analytical Calculation of Geometrical Derivatives in Molecular Electronic Structure Theory
4. Towards a double many-body expansion method for multivalued potential energy surfaces
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