Ab initio studies of structural features not easily amenable to experiment: The molecular structures of two low-energy forms of unionized serine |
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| Authors: | C. Van Alsenoy J.N. Scarsdale H.L. Sellers Lothar Schäfer |
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| Affiliation: | Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701, USA |
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| Abstract: | The structures of two unionized conformations of serine were refined without geometrical constraints using standard single determinant ab initio procedures on the 4-21G level. The results represent the best now available estimate for the unobserved equilibrium geometry of this system. |
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