Two-point contact chiral distinction--a theoretical appraisal

Ab initio calculations reveal chiral distinction in two-point contact CHFCIBr dimers, with chiral distinction energy of 1.5 kJ mol-1 between the SR and SS dimers fully optimized at the MP2/6-311++G** level.

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Bibliographic Details
Published inChemical communications (Cambridge, England) no. 22; pp. 2664 - 2665
Main Authors Radhakrishnan, T P, Topiol, Sid, Biedermann, P Ulrich, Garten, Sarit, Agranat, Israel
Format Journal Article
LanguageEnglish
Published England 21.11.2002
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Summary:Ab initio calculations reveal chiral distinction in two-point contact CHFCIBr dimers, with chiral distinction energy of 1.5 kJ mol-1 between the SR and SS dimers fully optimized at the MP2/6-311++G** level.
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ISSN:1359-7345
1364-548X
DOI:10.1039/b205346b