Number of the records: 1
Simulations of the Temperature Dependence of Amide I Vibration
- 1.
SYSNO ASEP 0359011 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Simulations of the Temperature Dependence of Amide I Vibration Author(s) Kaminský, Jakub (UOCHB-X) RID, ORCID
Bouř, Petr (UOCHB-X) RID, ORCID
Kubelka, J. (US)Number of authors 3 Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 115, č. 1 (2011), s. 30-34Number of pages 5 s. Language eng - English Country US - United States Keywords IR ; peptides ; simulations Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) GPP208/10/P356 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000285818500006 DOI 10.1021/jp1084839 Annotation 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). 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