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On the limited precision of transfer of molecular optical activity tensors

SYSNO ASEP	0360481
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	On the limited precision of transfer of molecular optical activity tensors
Author(s)	Yamamoto, Shigeki (UOCHB-X) Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	2
Source Title	Collection of Czechoslovak Chemical Communications. - : Ústav organické chemie a biochemie AV ČR, v. v. i. - ISSN 0010-0765 Roč. 76, č. 5 (2011), s. 567-583
Number of pages	17 s.
Language	eng - English
Country	CZ - Czech Republic
Keywords	transfer of tensor ; optical activity
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LH11033 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	GAP208/11/0105 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000290280100014
DOI	10.1135/cccc2011018
Annotation	The individual polarizable group model is analyzed for a model water dimer, and the corrections stemming from mutual group polarizations neglected in the transfer are estimated ab initio.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2012

Number of the records: 1