Number of the records: 1
Simulations of the Temperature Dependence of Amide I Vibration
- 1.0359011 - ÚOCHB 2012 RIV US eng J - Journal Article
Kaminský, Jakub - Bouř, Petr - Kubelka, J.
Simulations of the Temperature Dependence of Amide I Vibration.
Journal of Physical Chemistry A. Roč. 115, č. 1 (2011), s. 30-34. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550702; GA ČR GPP208/10/P356
Grant - others:AV ČR(CZ) M200550902; NSF(US) CAREER 0846140
Institutional research plan: CEZ:AV0Z40550506
Keywords : IR * peptides * simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
To obtain insights into the origin and size of the temperature solvent effects on the amide I spectra, combined molecular dynamics and density functional simulations were performed with the model N-methylacetamide molecule (NMA).
Permanent Link: http://hdl.handle.net/11104/0006418
Number of the records: 1