Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory.
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Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory.Density functional study of tetraphenylporphyrin long-range exciton couplingSymmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals.Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study.Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.Molecular Engineering of MnII Diamine Diketonate Precursors for the Vapor Deposition of Manganese Oxide Nanostructures.Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory.Optical absorption spectra of gold clusters Au(n) (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning.Ultrafast photo-initiated molecular quantum dynamics in the DNA dinucleotide d(ApG) revealed by broadband transient absorption spectroscopy.Slow deactivation channels in UV-photoexcited adenine DNA.Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism.The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.Communication: configuration interaction singles has a large systematic bias against charge-transfer states.Theoretical study of excited states of DNA base dimers and tetramers using optimally tuned range-separated density functional theory.Significance of a zwitterionic state for fulgide photochromism: implications for the design of mimicsThe DFT investigations of the electron injection in hydrazone-based sensitizersChallenges in Simulating Light-Induced Processes in DNAAssessment of the ωB97 family for excited-state calculations
P2860
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P2860
Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Charge-transfer excited states ...... ent density functional theory.
@en
Charge-transfer excited states ...... ent density functional theory.
@nl
type
label
Charge-transfer excited states ...... ent density functional theory.
@en
Charge-transfer excited states ...... ent density functional theory.
@nl
prefLabel
Charge-transfer excited states ...... ent density functional theory.
@en
Charge-transfer excited states ...... ent density functional theory.
@nl
P356
P1476
Charge-transfer excited states ...... ent density functional theory.
@en
P2093
Adrian W Lange
Mary A Rohrdanz
P304
P356
10.1021/JP802058K
P407
P577
2008-04-26T00:00:00Z