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Scaling of correlation basis set extension energies

✍ Scribed by Zhen-Hua Li; Ming Wah Wong


Book ID
108312247
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
100 KB
Volume
337
Category
Article
ISSN
0009-2614

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## Abstract The nitrogen protonation energies of the imino bases HNο£ΎCH__R__, where __R__ is H, CH~3~, NH~2~, OH, and F, have been evaluated to determine the dependence of absolute and relative protonation energies on geometry, basis set, and correlation effects. Reliable absolute protonation energi