Transition state infrared spectra for the Trans -> Cis isomerization of a simple peptide model

Michelle Sahai; Milan Szori; Bela Viskolcz; Emil F. Pai; Imre G. Csizmadia

doi:10.1021/jp074991f

Transition state infrared spectra for the Trans -> Cis isomerization of a simple peptide model

Michelle Sahai
, Milan Szori
, Bela Viskolcz
, Emil F. Pai
, Imre G. Csizmadia

School of Life and Health Sciences

Research output: Contribution to journal › Article › peer-review

Abstract

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 differen

Original language	English
Pages (from-to)	8384-8389
Journal	JOURNAL OF PHYSICAL CHEMISTRY A
Volume	111
Issue number	34
DOIs	https://doi.org/10.1021/jp074991f
Publication status	Published - 2007

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10.1021/jp074991f

http://dx.doi.org/10.1021/jp074991f

Cite this

@article{4db3e6f3e17e4ffe854eb23eb8aa5e08,

title = "Transition state infrared spectra for the Trans -> Cis isomerization of a simple peptide model",

abstract = "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 differen",

author = "Michelle Sahai and Milan Szori and Bela Viskolcz and Pai, \{Emil F.\} and Csizmadia, \{Imre G.\}",

year = "2007",

doi = "10.1021/jp074991f",

language = "English",

volume = "111",

pages = "8384--8389",

journal = "JOURNAL OF PHYSICAL CHEMISTRY A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "34",

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TY - JOUR

T1 - Transition state infrared spectra for the Trans -> Cis isomerization of a simple peptide model

AU - Sahai, Michelle

AU - Szori, Milan

AU - Viskolcz, Bela

AU - Pai, Emil F.

AU - Csizmadia, Imre G.

PY - 2007

Y1 - 2007

N2 - 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 differen

AB - 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 differen

U2 - 10.1021/jp074991f

DO - 10.1021/jp074991f

M3 - Article

SN - 1089-5639

VL - 111

SP - 8384

EP - 8389

JO - JOURNAL OF PHYSICAL CHEMISTRY A

JF - JOURNAL OF PHYSICAL CHEMISTRY A

IS - 34

ER -