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Determination of atomic desolvation energies from the structures of crystallized proteins

✍ Scribed by Chao Zhang; George Vasmatzis; James L Cornette; Charles DeLisi

Book ID
115627789
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
385 KB
Volume
267
Category
Article
ISSN
0022-2836

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## Abstract One‐center core integrals for valence orbitals are determined from the experimental average energies of neutral atomic configurations from Li through Zn. These values are compared with those estimated from CNDO/1, β€œINDO/1”, CNDO/2, β€œINDO/2” and with theoretical values calculated from a