位置：成果数据库 > 期刊 > 期刊详情页
Quantum instanton calculation of rate constants for the C2H6 + H -> C2H5 + H-2 reaction: anharmon
  • ISSN号：1463-9076
  • 期刊名称：Physical Chemistry Chemical Physics
  • 时间：0
  • 页码：19362-19370
  • 相关项目：复杂体系电子转移理论与有机功能材料迁移率预测
作者： Wang, Wenji|Zhao, Yi|
同期刊论文项目
复杂体系电子转移理论与有机功能材料迁移率预测
期刊论文 51
同项目期刊论文
Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a
光系统I（PSI）反应中心的激子耦合
First-principles investigation of organic semiconductors for thermoelectric applications
The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-princi
Semiclassical treatments of electron transfer rate from weak to strong electronic coupling regime
Computational methods for design of organic materials with high charge mobility
First-principles prediction of charge mobility in carbon and organic nanomaterials
Theoretical Comparison for the Excited States of Chlorophyll-a by Quantum-chemical Calculations
Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics S
分子间电子耦合的简便计算方法—孤立轨道法
Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong
EFFECT OF ENVIRONMENT ON SUPEREXCHANGE ELECTRON TRANSFER IN A MULTIPLE BRIDGED DONOR-ACCEPTOR SYSTEM
Electron Transfer within Charge-Localized Dinitroaromatic Radical Anions
Non-Markovian Stochastic Schrödinger Equation at Finite Temperatures for Charge Carrier Dynamic
Quantum instanton evaluations of surface diffusion, interior migration, and surface-subsurface trans
Electronic structure of pyridine-based SAMs on flat Au(111) surfaces: extended charge rearrangements
Non-Condon电子转移速率理论与含时波包方法
Theoretical study of photo-physical properties of indolylmaleimide derivatives
Electron Mobilities of n-Type Organic Semiconductors from Time-Dependent Wavepacket Diffusion Method
Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hoppi
Evaluating Charge Transfer Integral of Different Pentacenes Molecules Packing under the Isolated Orb
Theoretical study the trap and carrier-density dependent electron mobility in pentacene ab-plane by
混合量子-经典方法计算电荷转移速率及其在实际体系中的应用
孤立轨道法评估不同并五苯分子堆积的电荷转移积分
理论化学研究进展以及在可持续发展中的应用
不同方法研究微溶剂化尿嘧啶激发能
芴二聚体三重激发态能量转移的理论研究