Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.
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Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-ThiouracilMolecular bases for the selection of the chromophore of animal rhodopsinsComparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins.Learning from photobiology how to design molecular devices using a computer.Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.Nonadiabatic photodynamics of a retinal model in polar and nonpolar environment100 fs photo-isomerization with vibrational coherences but low quantum yield in Anabaena Sensory Rhodopsin.Spectral properties and isomerisation path of retinal in C1C2 channelrhodopsin.Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules.Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture.Femtosecond Raman spectra of cis-stilbene and trans-stilbene with isotopomers in solution.Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism.Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations.The Fractional Occupation Number Weighted Density as a Versatile Analysis Tool for Molecules with a Complicated Electronic Structure.A surface hopping algorithm for nonadiabatic minimum energy path calculations.A conical intersection controls the deactivation of the bacterial luciferase fluorophore.An experimental comparison of human and bovine rhodopsin provides insight into the molecular basis of retinal disease.
P2860
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P2860
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.
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2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年學術文章
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name
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@en
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@nl
type
label
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@en
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@nl
prefLabel
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@en
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@nl
P50
P356
P1476
Dynamic Electron Correlation E ...... f a Retinal Chromophore Model.
@en
P2093
Alexander A Granovsky
Mark Huntress
P304
P356
10.1021/CT3003139
P577
2012-09-24T00:00:00Z