Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum M
about
Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study.Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases.Large-Scale Quantum Many-Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor-Acceptor Hybrid PBI-Macrocycle Complex.Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations.Prediction of the lowest charge-transfer excited-state energy at the donor-acceptor interface in a condensed phase using ground-state DFT calculations with generalized Kohn-Sham functionals.Anion identification using silsesquioxane cagesSupercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT
P2860
Q36318734-06CE3065-C5F5-469B-ACEE-30A997206BE9Q48063158-8B540475-5E75-41D6-B8EB-2CEF54EF187BQ50993297-E015F642-5407-46D3-B861-248E316A6169Q53623606-FC5D127E-BD0F-4CF0-8F93-DFB72F7DF97BQ54579479-E96D331C-9E9B-436E-B113-F6ABF984DB11Q57311028-E9B7CD8A-4254-4A3F-BF67-27CA0E9F50C9Q58557668-A9B87B52-F103-4056-866D-894B59F173C6
P2860
Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum M
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Solvated Charge Transfer State ...... Gaussian Polarized Continuum M
@en
type
label
Solvated Charge Transfer State ...... Gaussian Polarized Continuum M
@en
prefLabel
Solvated Charge Transfer State ...... Gaussian Polarized Continuum M
@en
P356
P1476
Solvated Charge Transfer State ...... ian Polarized Continuum Models
@en
P2093
Eitan Geva
P304
P356
10.1021/CT300700Q
P577
2013-01-22T00:00:00Z