Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.

Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.

Item
http://www.wikidata.org/entity/Q51156997
Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search.Excited states and electronic spectra of extended tetraazaporphyrins.Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: theory of the solvent effect on the electronic excitation of molecules in solution.Double excitations from modified Hartree Fock subsequent minimization scheme.Non-orthogonal configuration interaction for the calculation of multielectron excited states.Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.Lowest triplet (n, π*) electronic state of acrolein: determination of structural parameters by cavity ringdown spectroscopy and quantum-chemical methods.On the performance of quantum chemical methods to predict solvatochromic effects: the case of acrolein in aqueous solution.Theoretical study of isomerization and decomposition of propenal.Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method.Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
P2860

Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.

Item
http://www.wikidata.org/entity/Q51156997
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Singly and doubly excited stat ...... etries and electronic spectra.
@en
Singly and doubly excited stat ...... etries and electronic spectra.
@nl
type
label
Singly and doubly excited stat ...... etries and electronic spectra.
@en
Singly and doubly excited stat ...... etries and electronic spectra.
@nl
prefLabel
Singly and doubly excited stat ...... etries and electronic spectra.
@en
Singly and doubly excited stat ...... etries and electronic spectra.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Singly and doubly excited stat ...... metries and electronic spectra
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698