Ab initio determination of dark structures in radiationless transitions for aromatic carbonyl compounds.
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Conical intersections in solution: formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics methodInsights into mechanistic photochemistry of urea.Insights into the mechanistic photodissociation of methyl formate.Mechanisms on electrical breakdown strength increment of polyethylene by aromatic carbonyl compounds addition: a theoretical study.Mechanisms on electrical breakdown strength increment of polyethylene by acetophenone and its analogues addition: a theoretical study.Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation.Computational photochemistry of the azobenzene scaffold of Sudan I and Orange II dyes: excited-state proton transfer and deactivation via conical intersections.How Does Thymine DNA Survive Ultrafast Dimerization Damage?Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.Photoinduced reactions of both 2-formyl-2H-azirine and isoxazole: A theoretical study based on electronic structure calculations and nonadiabatic dynamics simulations.Theoretical study of the photochemical generation of triplet acetophenone.
P2860
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P2860
Ab initio determination of dark structures in radiationless transitions for aromatic carbonyl compounds.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 06 February 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@en
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@nl
type
label
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@en
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@nl
prefLabel
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@en
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@nl
P356
P1476
Ab initio determination of dar ...... r aromatic carbonyl compounds.
@en
P2093
Wei-Hai Fang
P304
P356
10.1021/AR700205F
P407
P577
2008-02-06T00:00:00Z