DFT Study of the Monomers and Dimers of 2-Pyrrolidone: Equilibrium Structures, Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions-Reference-Cited by-同舟云学术

DFT Study of the Monomers and Dimers of 2-Pyrrolidone: Equilibrium Structures, Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions

Published:2005-11-09 Issue:48 Volume:109 Page:10982-10996
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Shchavlev Andrew E.¹,Pankratov Alexei N.²,Borodulin Vladimir B.³,Chaplygina Olga A.³

Affiliation:

1. Division of Computational and Informational Science, Volga Region Academy of State Service, 23/25 Sobornaya Street, Saratov 410031, Russia

2. Department of Chemistry, N. G. Chernyshevskii Saratov State University, 83 Astrakhanskaya Street, Saratov 410012, Russia

3. Department of Biological Chemistry, Saratov State Medicinal University, 112 Bol'shaya Kazach'ya Street, Saratov 410012, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp053753m

Reference57 articles.

1. Noncovalent Interactions: A Challenge for Experiment and Theory

2. Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: Nonempirical Ab Initio Calculations

Cited by 31 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. 5-Aminolevulinic Acid Tautomers: Theoretical Elucidation of pKa’s, Species Distribution and Dimerization Constants;Current Organic Chemistry;2023-10

2. Theoretical Analysis of Structure and Reactivity as a Tool for the Interpretation and Prediction of the Properties of Analytical Reagents and Forms;Journal of Analytical Chemistry;2022-09

3. Hydrogen Bonds in a Water–Pyrrolidone System;Russian Journal of Physical Chemistry A;2022-04

4. Introduction to Pyrrolidone and Caprolactam Chemistry;Handbook of Pyrrolidone and Caprolactam Based Materials;2022-01-18

5. Tetrel Bonds between Phenyltrifluorosilane and Dimethyl Sulfoxide: Influence of Basis Sets, Substitution and Competition;Molecules;2021-11-29