Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data-Reference-Cited by-同舟云学术

Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data

Published:2005-05-27 Issue:24 Volume:109 Page:5289-5302
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Chass Gregory A.¹,Mirasol Reinard S.¹,Setiadi David H.¹,Tang Ting-Hua¹,Chin Wutharath¹,Mons Michel¹,Dimicoli Iliana¹,Dognon Jean-Pierre¹,Viskolcz Bela¹,Lovas Sándor¹,Penke Botond¹,Csizmadia Imre G.¹

Affiliation:

1. Global Institute of COmputational Molecular and Materials Science (GIOCOMMS), 2-158 Major Street, Toronto, Ontario M5S 2K2, Canada, Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5G 2E8, Canada, Laboratoire Francis Perrin (URA CNRS 2453), Service des Photons, Atomes et Molécules, and CEA / DSM / DRECAM, Centre d'Etudes de Saclay, Bât. 522, 91191 Gif-sur-Yvette Cedex, France, Department of Chemistry, Juhasz Gyula Teaching College,...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp040720i

Reference71 articles.

1. Peptide and protein folding

2. Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database

3. A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks

4. Theoretical evidence for intramolecular hydrogen bonding in 7-norbornenol

Cited by 34 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues;Chemical Reviews;2020-11-05

2. An improved two-rotor function for conformational potential energy surfaces of 20 amino acid diamides;Canadian Journal of Chemistry;2018-01

3. Investigations on isolated peptides by combined IR/UV spectroscopy in a molecular beam – structure, aggregation, solvation and molecular recognition;International Reviews in Physical Chemistry;2016-10

4. Gas phase double-resonance IR/UV spectroscopy of an alanine dipeptide analogue using a non-covalently bound UV-tag: observation of a folded peptide conformation in the Ac-Ala-NH2–toluene complex;Structural Chemistry;2015-11-09

5. The intramolecular cation–π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis;Computational and Theoretical Chemistry;2014-05