Ab initio equilibrium structures of unionized amino acids: alanine |
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| Authors: | HL Sellers Lothar Schäfer |
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| Institution: | Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701, USA |
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| Abstract: | The structures of two unionized conformations of alanine were optimized by relaxing all of their geometrical parameters using standard single determinant MO theory with Pulay's FORCE method a 4–21G basis. The results represent the best now available estimate for the unobserved geometry of this system. |
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