Two-point contact chiral distinction--a theoretical appraisal

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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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2002-11 (22), p.2664-2665
Hauptverfasser: Radhakrishnan, T P, Topiol, Sid, Biedermann, P Ulrich, Garten, Sarit, Agranat, Israel
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container_issue 22
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container_title Chemical communications (Cambridge, England)
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creator Radhakrishnan, T P
Topiol, Sid
Biedermann, P Ulrich
Garten, Sarit
Agranat, Israel
description 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.
doi_str_mv 10.1039/b205346b
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source Royal Society of Chemistry Journals Archive (1841-2007); Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
title Two-point contact chiral distinction--a theoretical appraisal
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