On the use of the Boys–Bernardi function counterpoise procedure to correct barrier heights for basis set superposition error
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference11 articles.
1. Studies in Molecular Structure. VII. Limited Configuration Interaction for Selected First‐Row Diatomics
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4. On the validity of the counterpoise correction for the basis set superposition error including the fragment relaxation terms
5. Ab initio calculations on the very strong hydrogen bond of the biformate anion and comparative esterification studies
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