✦ LIBER ✦

Ab Initio Calculation of Inner-Sphere Reorganization Energies of Arenediazonium Ion Couples

✍ Scribed by Weaver, Michael N.; Janicki, Slawomir Z.; Petillo, Peter A.

Book ID: 126000458
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 157 KB
Volume: 66
Category: Article
ISSN: 0022-3263
DOI: 10.1021/jo0011742

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The ab initio calculation of inner spher

The ab initio calculation of inner sphere reorganization energies of inorganic redox couples

✍ Eberson, Lennart; Gonzalez-Luque, Remedios; Lorentzon, Johan; Merchan, Manuela; 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 612 KB

Nonempirical ab initio studies on inner-

Nonempirical ab initio studies on inner-sphere reorganization energies of M2+(H2O)6/M3+(H2O)6 redox couples at valence basis level

✍ Yuxiang Bu; Yangjun Ding; Faxin He; Lifu Jiang; Xinyu Song 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB 👁 1 views

On the basis of the basic feature of the electron transfer reactions, a new theoretical scheme and application of a nonempirical ab initio method in computing the inner-sphere Ž . reorganization energies RE of hydrated ions in electron transfer processes in solution Ž . are presented at valence STO

Ab initio study of inner-sphere reorgani

Ab initio study of inner-sphere reorganization energy for diatomic molecules in gas-phase electron transfer processes

✍ Yuxiang Bu; Yuhua Zhang 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 651 KB

Potential Surface at the Reorganized Sta

Potential Surface at the Reorganized State and Inner-Sphere Reorganization Energy for Diatomic Molecules in Gaseous Phase Electron-Transfer Processes from ab Initio Calculations

✍ Bu, Yuxiang; Song, Xinyu 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 378 KB

The inner-sphere reorganization energies

The inner-sphere reorganization energies for AH3 + AH3+(−) (A = B, C, N) self-exchange reactions from ab initio calculations

✍ Yuxiang Bu; Zailun Yang; Zhaohua Cao 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 761 KB

Ab initio calculation of inner-sphere re

Ab initio calculation of inner-sphere reorganization energy for the Fe2+ (H2O)6/Fe3+ (H2O)6 electron transfer system

✍ Yuxiang Bu; Shuxiang Liu; Xinyu Song 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 460 KB

Two new models, and application of the ab initio MO method, for computing the inner-sphere reorganization energy (RE) of the hydrated ions participating in electron transfer reactions in solution and at electrodes are presented. The inner-sphere RE was calculated for the low-lying state ( ST0/6A,,)