Transition state infrared spectra for the trans-->cis isomerization of a simple peptide model.

Transition state infrared spectra for the trans-->cis isomerization of a simple peptide model.
复制标题

DOI：
10.1021/jp074991f
复制
发表时间：
2007-08
期刊：
The journal of physical chemistry. A
影响因子：
--
通讯作者：
M. Sahai;Milán Szöri;B. Viskolcz;E. Pai;I. Csizmadia
M. Sahai;Milán Szöri;B. Viskolcz;E. Pai;I. Csizmadia
中科院分区：
其他
文献类型：
--
作者：
M. Sahai;Milán Szöri;B. Viskolcz;E. Pai;I. Csizmadia

文献摘要

被引文献

相似文献

N-甲基乙酰胺 (MeCO-NHMe) 的反式-->顺式异构化已在 G3MP2B3 理论水平上进行了研究，振动谱已计算为沿肽键运动扭转模式的函数。对于连接顺式和反式异构体的过渡态，观察到明显的光谱差异。
Trans-->cis isomerization of N-methylacetylamide (MeCO-NHMe) has been studied at the G3MP2B3 level of theory and the vibration spectrum has been calculated as a function of the torsional mode of motion along the peptide bond. Noticeable spectral differences have been observed for the transition state interconnecting the cis and trans isomers.