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Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories.Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2.On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides.Stepwise photosensitized thymine dimerization mediated by an exciton intermediate.Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.Electronic structure and absorption spectra of fluorescent nucleoside analogues.Insights into the deactivation of 5-bromouracil after ultraviolet excitation.A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications.Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing.2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies.
P2860
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P2860
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
The IPEA dilemma in CASPT2.
@en
type
label
The IPEA dilemma in CASPT2.
@en
prefLabel
The IPEA dilemma in CASPT2.
@en
P2860
P356
P1433
P1476
The IPEA dilemma in CASPT2
@en
P2093
J Patrick Zobel
P2860
P304
P356
10.1039/C6SC03759C
P577
2016-09-26T00:00:00Z