Transition State Infrared Spectra for the Trans- Cis Isomerization of a Simple Peptide Model

Michelle A.Sahai; Milan Szori; Bela Viskolcz

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Transition State Infrared Spectra for the Trans- Cis Isomerization of a Simple Peptide Model

机译：简单肽模型反式-Cis异构化的过渡态红外光谱

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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.

机译：在G3MP2B3的理论水平上研究了N-甲基乙酰基酰胺（MeCO-NHMe）的反式-顺式异构化，并根据沿肽键的扭转运动模式计算了振动光谱，观察到明显的光谱差异。用于连接顺式和反式异构体的过渡态。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第34期|共6页
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Michelle A.Sahai; Milan Szori; Bela Viskolcz;
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1. Transition State Infrared Spectra for the Trans- Cis Isomerization of a Simple Peptide Model [J] . Michelle A.Sahai, Milan Szori, Bela Viskolcz The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第34期

机译：简单肽模型反式-Cis异构化的过渡态红外光谱
2. Reactive vibrational excitation spectroscpy of formic acid in solid argon:Quantum yield for infrared induced trans- cis isomerization and solid state effects on teh vibrational spectrum. [J] . E.M.S.macoas, L.Khriachtchev, M.Pettersson, The Journal of Chemical Physics . 2003,第22期

机译：固体氩气中甲酸的反应性振动激发光谱：红外诱导的反式->顺式异构化的量子产率以及固态对振动光谱的影响。
3. A reevaluation of the assignment of the vibrational fundamentals and the rotational analysis of bands in the high-resolution infrared spectra of trans- and cis-1,3,5-hexatriene [J] . Norman C. Craig, Matthew C. Leyden, Michael C. Moore, Journal of Molecular Spectroscopy . 2010,第1期

机译：反式和顺式-1,3,5-己三烯的高分辨率红外光谱中振动基本原理的分配和谱带的旋转分析的重新评估
4. A method of determining accurate range capability for multispectral infrared sensors using simple modeling techniques [C] . Haren, R. . 1998

机译：一种使用简单建模技术确定多光谱红外传感器精确测距能力的方法
5. NMR and molecular modeling of the heavy-metal complexes of phytochelatins and the cis/trans isomerization kinetics of proline-containing peptides. [D] . Spain, Stephen Micheal. 2003

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6. Effects of Infrared Laser Radiation on the In Vitro Isomerization of All-Trans Retinal to 11-Cis Retinal [O] . J. Liegner, J. Taboada, A. T. C. Tsin -1

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7. Transition State Infrared Spectra for the TransfCis Isomerization of a Simple Peptide Model [O] . -1

机译：一种简单肽模型的转核异构化的过渡状态红外光谱
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机译：二氟化二氮化学。改进的顺式 - 和反式 - N2F2的合成，N2F + sn2F9的合成和表征高级电子结构计算顺式-N2F2，反式N2F2，F2N = N和N2F +，以及N2F2的反式顺式异构化机理（预印本）

Transition State Infrared Spectra for the Trans- Cis Isomerization of a Simple Peptide Model

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