TY - JOUR
T1 - Environmental Fluctuations Facilitate Electron-Hole Transfer from Guanine to Adenine in DNA φ Stacks
AU - Voityuk, Alexander A.
AU - Siriwong, Khatcharin
AU - Rösch, Notker
PY - 2004/1/23
Y1 - 2004/1/23
N2 - The relative energies of radical cation states on nucleobases in DNA are considerably affected by the local distribution of water molecules and counterions. In fact, fluctuations of ΔG are large enough to render electron-hole transfer from G+ to A energetically feasible, thus allowing a changeover from the generally accepted G-hopping mechanism to A-hopping (see picture).
AB - The relative energies of radical cation states on nucleobases in DNA are considerably affected by the local distribution of water molecules and counterions. In fact, fluctuations of ΔG are large enough to render electron-hole transfer from G+ to A energetically feasible, thus allowing a changeover from the generally accepted G-hopping mechanism to A-hopping (see picture).
KW - Charge transfer
KW - DNA
KW - Electron holes
KW - Quantum mechanical calculations
UR - http://www.scopus.com/inward/record.url?scp=1042288479&partnerID=8YFLogxK
U2 - 10.1002/anie.200352824
DO - 10.1002/anie.200352824
M3 - Article
C2 - 14743422
AN - SCOPUS:1042288479
SN - 1433-7851
VL - 43
SP - 624
EP - 627
JO - Angewandte Chemie International Edition in English
JF - Angewandte Chemie International Edition in English
IS - 5
ER -