Number of the records: 1

Computational analysis of solvent effects in NMR spectroscopy

SYSNO ASEP	0342468
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Computational analysis of solvent effects in NMR spectroscopy
Author(s)	Dračínský, Martin (UOCHB-X)_{RID, ORCID} Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	2
Source Title	Journal of Chemical Theory and Computation . - : American Chemical Society - ISSN 1549-9618 Roč. 6, č. 1 (2010), s. 288-299
Number of pages	12 s.
Language	eng - English
Country	US - United States
Keywords	NMR ; solvent effects ; computations
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
	GA203/09/1919 GA ČR - Czech Science Foundation (CSF)
	IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000274757000029
DOI	10.1021/ct900498b
Annotation	Solvent effects for NMR spectroskopy were modeled on simple molecules using DFT and CPMD techniques, and discussed on experimental results.
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	2011

Number of the records: 1