Direct simulation of proton coupled electron transfer dynamics

被引:0
|
作者
Kretchmer, Joshua S. [1 ]
Menzeleev, Artur R. [1 ]
Ananth, Nandini [1 ]
Miller, Thomas F. [1 ]
机构
[1] CALTECH, Pasadena, CA 91106 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
377-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Branching Ratio between Proton Transfer and Electron Transfer Channels of a Bidirectional Proton-Coupled Electron Transfer
    An, Heesun
    Baeck, Kyoung Koo
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 5 (08): : 1307 - 1311
  • [42] QM/MM nonadiabatic dynamics of photoinduced proton-coupled electron transfer in solution
    Goyal, Puja
    Schwerdtfeger, Christine
    Soudackov, Alexander
    Hammes-Schiffer, Sharon
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [43] Reaction Dynamics of Proton-Coupled Electron Transfer from Reduced ZnO Nanocrystals
    Braten, Miles N.
    Gamelin, Daniel R.
    Mayer, James M.
    ACS NANO, 2015, 9 (10) : 10258 - 10267
  • [44] Photoinduced proton-coupled electron transfer in solution: Nonequilibrium dynamics and vibrational relaxation
    Hammes-Schiffer, Sharon
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [45] Nonadiabatic dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution
    Hammes-Schiffer, Sharon
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [46] Mechanisms of surface electron transfer. Proton-coupled electron transfer
    Trammell, SA
    Wimbish, JC
    Odobel, F
    Gallagher, LA
    Narula, PM
    Meyer, TJ
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (50) : 13248 - 13249
  • [47] A complete description of tunnelling using direct quantum dynamics simulation: Salicylaldimine proton transfer
    Polyak, Iakov
    Allan, Charlotte S. M.
    Worth, Graham A.
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (08):
  • [48] Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase
    Hammes-Schiffer, S
    ADVANCES IN CLASSICAL TRAJECTORY METHODS, VOL 3: COMPARISONS OF CLASSICAL AND QUANTUM DYNAMICS, 1998, 3 : 73 - 119
  • [49] The Role of Intermolecular Hydrogen Bonding and Proton Transfer in Proton-Coupled Electron Transfer
    Alligrant, Timothy M.
    Alvarez, Julio C.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (21): : 10797 - 10805
  • [50] SIMULATION OF THE ENERGETICS AND DYNAMICS OF ELECTRON-TRANSFER AND PROTON-TRANSFER REACTION IN POLAR-SOLVENTS
    WARSHEL, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 191 : 220 - PHYS