A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation
出版年份 2013 全文链接
标题
A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 15, Pages 154104
出版商
AIP Publishing
发表日期
2013-10-17
DOI
10.1063/1.4824906
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method
- (2013) Alexander A. Voityuk Journal of Physical Chemistry C
- Optimal diabatic states based on solvation parameters
- (2012) Ethan Alguire et al. JOURNAL OF CHEMICAL PHYSICS
- A three-state effective Hamiltonian for symmetric cationic diarylmethanes
- (2012) Seth Olsen et al. JOURNAL OF CHEMICAL PHYSICS
- Mechanisms of bridge-mediated electron transfer: A TDDFT electronic dynamics study
- (2012) Feizhi Ding et al. JOURNAL OF CHEMICAL PHYSICS
- Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: A more general construction procedure and an analysis of the diabatic representation
- (2012) Xiaolei Zhu et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Nonadiabatic dynamics theory
- (2012) John C. Tully JOURNAL OF CHEMICAL PHYSICS
- Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
- (2012) Felix Plasser et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic coupling for charge transfer in donor–bridge–acceptor systems. Performance of the two-state FCD model
- (2012) Alexander A. Voityuk PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Communication: Configuration interaction singles has a large systematic bias against charge-transfer states
- (2011) Joseph E. Subotnik JOURNAL OF CHEMICAL PHYSICS
- Reduced Electronic Spaces for Modeling Donor/Acceptor Interactions†
- (2010) Robert J. Cave et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Characterizing the Locality of Diabatic States for Electronic Excitation Transfer By Decomposing the Diabatic Coupling
- (2010) Josh Vura-Weis et al. Journal of Physical Chemistry C
- Theoretical characterization of photoinduced electron transfer in rigidly linked donor–acceptor molecules: the fragment charge difference and the generalized Mulliken–Hush schemes
- (2010) Sheng-Jui Lee et al. MOLECULAR PHYSICS
- The Electronic Couplings in Electron Transfer and Excitation Energy Transfer
- (2009) Chao-Ping Hsu ACCOUNTS OF CHEMICAL RESEARCH
- DFT performance for the hole transfer parameters in DNA π stacks
- (2009) Martín Félix et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- A diabatic three-state representation of photoisomerization in the green fluorescent protein chromophore
- (2009) Seth Olsen et al. JOURNAL OF CHEMICAL PHYSICS
- The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
- (2009) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
- Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization
- (2008) Joseph E. Subotnik et al. JOURNAL OF CHEMICAL PHYSICS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started