An Exhaustive Conformational Analysis of N-Acetyl-l-cysteine-N-methylamide. Identification of the Complete Set of Interconversion Pathways on the ab Initio and DFT Potential Energy Hypersurface-Reference-Cited by-同舟云学术

An Exhaustive Conformational Analysis of N-Acetyl-l-cysteine-N-methylamide. Identification of the Complete Set of Interconversion Pathways on the ab Initio and DFT Potential Energy Hypersurface

Published:2005-01-19 Issue:5 Volume:109 Page:874-884
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bombasaro J. A.¹,Zamora M. A.¹,Baldoni H. A.¹,Enriz R. D.¹

Affiliation:

1. Department of Chemistry, National University of San Luis, Chacabuco 971, 5700 SAN LUIS, Argentina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0460386

Reference43 articles.

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3. Characteristics of Ramachandran maps of L-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods.

4. HYPERCHEM 4.5, Hypercube, Inc. 419 Phillip St., Waterloo, Ontario, Canada N21, 3X2, 1994.

5. Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

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