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Theoretical calculation of the depth resolution of IBA methods

✍ Scribed by E. Szilágyi; F. Pászti

Book ID
113285891
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
429 KB
Volume
85
Category
Article
ISSN
0168-583X

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## Abstract The methyl cation affinity (MCA; 298 K) of a variety of neutral and anionic bases has been examined computationally with a wide variety of theoretical methods. These include high‐level composite procedures such as W1, G3, G3B3, and G2, conventional __ab initio__ methods such as CCSD(T)