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Computational analysis of solvent effects in NMR spectroscopy
- 1.0342468 - ÚOCHB 2011 RIV US eng J - Journal Article
Dračínský, Martin - Bouř, Petr
Computational analysis of solvent effects in NMR spectroscopy.
Journal of Chemical Theory and Computation. Roč. 6, č. 1 (2010), s. 288-299. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA202/07/0732; GA ČR GA203/09/1919; GA AV ČR IAA400550702
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR * solvent effects * computations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Solvent effects for NMR spectroskopy were modeled on simple molecules using DFT and CPMD techniques, and discussed on experimental results.
Permanent Link: http://hdl.handle.net/11104/0185199
Number of the records: 1