✦ LIBER ✦

Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations

✍ Scribed by Vladimirov, Egor; Ivanova, Anela; Rösch, Notker

Book ID: 121431787
Publisher: American Institute of Physics
Year: 2008
Tongue: English
Weight: 541 KB
Volume: 129
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3013456

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular Simulations of Outersphere Reo

Molecular Simulations of Outersphere Reorganization Energies in Polar and Quadrupolar Solvents. The Case of Intramolecular Electron and Hole Transfer

✍ Vener, M. V.; Tovmash, A. V.; Rostov, I. V.; Basilevsky, M. V. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 64 KB

Solvent effects on intervalence electron

Solvent effects on intervalence electron-transfer energies for biferrocene cations: comparisons with molecular models of solvent reorganization

✍ McManis, George E.; Gochev, Alexander; Nielson, Roger M.; Weaver, Michael J. 📂 Article 📅 1989 🏛 American Chemical Society 🌐 English ⚖ 1018 KB

The reorganization energy of electron tr

The reorganization energy of electron transfer in nonpolar solvents: Molecular level treatment of the solvent

✍ Leontyev, I. V.; Tachiya, M. 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 576 KB

Effects of Solvent and Solute Polarizabi

Effects of Solvent and Solute Polarizability on the Reorganization Energy of Electron Transfer

✍ Gupta, Shikha; Matyushov, Dmitry V. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 116 KB

Monte Carlo simulation study on reorgani

Monte Carlo simulation study on reorganization energy of electron-transfer reactions in polar solution

✍ Yoshitaka Enomoto; Toshiaki Kakitani; Akira Yoshimori; Yasuyo Hatano; Minoru Sai 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 463 KB

The reorganization energy of electron-transfer reactions as a function of the distance between donor and acceptor molecules is calculated by Monte Carlo simulation. It is found that the reorganization energy of charge-separation reactions is appreciably different from that of charge-recombination re

One approach to calculating the solvent

One approach to calculating the solvent reorganization energy of intramolecular electron transfer

✍ Kexiang Fu; Xiangyuan Li; Quan Zhu; Shenzhuang Lu 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 328 KB