Specific Solvation Effects on the Structures and Properties of Neutral and One-Electron Oxidized Formamidine−Formamide Complexes. A Theoretical ab Initio Study-Reference-Cited by-同舟云学术

Specific Solvation Effects on the Structures and Properties of Neutral and One-Electron Oxidized Formamidine−Formamide Complexes. A Theoretical ab Initio Study

Published:1999-09-23 Issue:41 Volume:103 Page:8317-8327
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhanpeisov Nurbosyn U.¹,Leszczynski Jerzy¹

Affiliation:

1. Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson State University, Jackson, Mississippi 39217, and Boreskov Institute of Catalysis, Novosibirsk 630090, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp991796v

Reference25 articles.

1. Ab initio molecular orbital calculations of DNA bases and their radical ions in various protonation states: evidence for proton transfer in GC base pair radical anions

2. Relative abundances of primary ion radicals in .gamma.-irradiated DNA: cytosine vs. thymine anions and guanine vs. adenine cations

3. Ab initio molecular orbital calculations on DNA base pair radical ions: effect of base pairing on proton-transfer energies, electron affinities, and ionization potentials

4. Induction of Strand Breaks in Single-Stranded Polyribonucleotides and DNA by Photoionization: One Electron Oxidized Nucleobase Radicals as Precursors

5. Rates of DNA-Mediated Electron Transfer Between Metallointercalators

Cited by 21 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. Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical–Molecular Mechanical Simulations of Proton Transfer in DNA;Journal of Chemical Theory and Computation;2018-02-15

2. Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNA;Journal of Chemical Theory and Computation;2017-02-14

3. A computational study of the nuclear magnetic resonance parameters for double proton exchange pathways in the formamide–formic acid and formamide–formamidine complexes;Physical Chemistry Chemical Physics;2009

4. Density Functional Study of Intradimer Proton Transfers in Hydrated Adenine Dimer Ions, A2+(H2O)n (n = 0−2);The Journal of Physical Chemistry A;2008-08-30

5. 4-(1-Alkylbenzimidazol-2-ylazo)-2-pyrazolin-5-ones: specific features of prototropic tautomerism;Russian Chemical Bulletin;2008-07