Conformational equilibrium in alanine: F
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Roman M. Balabin
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Article
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2011
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Elsevier
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English
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C 2 H 5 NO 2 ) Stereochemistry (rotational isomerism) Conformers/rotamer (trans, gauche, cis) Steric effects (torsion angle) Basis set limit (BSL) Benchmark (DFT, DFT-D, LC-DFT) a b s t r a c t A complete understanding of the conformational equilibria of proteogenic amino acids (AAs) is the first st