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On the use of the Boys–Bernardi function counterpoise procedure to correct barrier heights for basis set superposition error

✍ Scribed by J.A. Sordo


Book ID
114141260
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
187 KB
Volume
537
Category
Article
ISSN
0166-1280

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Gutowski, van Duijneveldt, Chafasinski, and Piela have criticized our analysis of the function counterpoise correction and our conclusion that the correction using the full basis for monomer calculations overcorrects for basis set superposition error. An analysis of their argument shows, however, th