DFT Method Estimation of Standard Redox Potential of Metal Ions and Metal Complexes-Reference-Cited by-同舟云学术

DFT Method Estimation of Standard Redox Potential of Metal Ions and Metal Complexes

Published:2007-03-22 Issue:3 Volume:3 Page:789-795
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shimodaira Yoshiki¹,Miura Toshiko¹,Kudo Akihiko¹,Kobayashi Hisayoshi¹

Affiliation:

1. Department of Applied Chemistry, Faculty of Science, Science University of Tokyo, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan, and Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Kyoto 606-8585, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700015t

Reference25 articles.

1. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

2. Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

3. Poisson−Boltzmann Analytical Gradients for Molecular Modeling Calculations

4. New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

5. Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation

Cited by 41 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. Intermediate Intercluster Bond Orders. Electronic Communication in Au₃₈(SR)₂₄ Superatomic Molecules;ChemPhysChem;2024-07-22

2. The Effect of the Capping Agents of Nanoparticles on Their Redox Potential;Journal of the American Chemical Society;2024-07-03

3. Prediction of Redox Potentials for U, Np, Pu, and Am in Aqueous Solution;The Journal of Physical Chemistry A;2024-07-03

4. Enhanced adsorption of odorous NH3 using transition metals (Cu, Fe, Ni, Mn, Ce) modified activated carbon;International Journal of Environmental Science and Technology;2024-06-10

5. Structure effects of Pt₁₅ clusters for the oxygen reduction reaction: first-principles calculations;Physical Chemistry Chemical Physics;2023