Two-point contact chiral distinction—a theoretical appraisal
Two-point contact chiral distinction—a theoretical appraisal
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Date
2002-01-01
Authors
Radhakrishnan, T. P.
Topiol, Sid
Biedermann, P. Ulrich
Garten, Sarit
Agranat, Israel
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Abstract
Ab initio calculations reveal chiral distinction in two-point contact CHFClBr dimers, with chiral distinction energy of 1.5 kJ mol-1between the SR and SS dimers fully optimized at the MP2/6-311++G** level. © 2002 The Royal Society of Chemistry.
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Chemical Communications. v.2(22)