Realistic, quantitative descriptions of electron-transfer reactions: Diabatic free-energy surfaces from first-principles molecular dynamics
2007
Details
Title
Realistic, quantitative descriptions of electron-transfer reactions: Diabatic free-energy surfaces from first-principles molecular dynamics
Author(s)
Sit, P. H. L. ; Cococcioni, M. ; Marzari, N.
Published in
Abstracts of Papers of the American Chemical Society
Volume
233
Date
2007
ISSN
0065-7727
Laboratories
THEOS
Record Appears in
Scientific production and competences > STI - School of Engineering > IMX - Institute of Materials > THEOS - Laboratory of theory and simulation of materials
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2012-06-29