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Ab initio studies of structural features not easily amenable to experiment: The molecular structures of two low-energy forms of unionized serine

✍ Scribed by C. Van Alsenoy; J.N. Scarsdale; H.L. Sellers; Lothar Schäfer

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
273 KB
Volume
80
Category
Article
ISSN
0009-2614

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✦ Synopsis

The structures of two unionized conformations of serine were refined without geometrical constraints using standard single determinant ab initio mocedures on the 4-21G level. The results represent the best now available estimate for the unobserved equihbrium geometry of this system.

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