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
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:1359-7345
1364-548X
DOI:10.1039/b205346b