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Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S0/S1-MECIs by the Spin-Flip TDDFT Method.Excited-state free energy surfaces in solution: time-dependent density functional theory∕reference interaction site model self-consistent field method.Excited-state hydrogen atom transfer reaction in solvated 7-hydroxy-4-methylcoumarin.Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.Optimizing minimum free-energy crossing points in solution: linear-response free energy/spin-flip density functional theory approach.Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF studyImplementation of the analytic energy gradient for the combined time-dependent density functional theory/effective fragment potential method: application to excited-state molecular dynamics simulationsPhotoisomerization of stilbene: a spin-flip density functional theory approachOptimizing conical intersections by spin-flip density functional theory: application to ethyleneFragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy GradientTrajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theoryQuantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory
P50
Q40291486-3E34FBBB-3084-4326-9953-C5731EECF01BQ44623555-9FFAA111-4237-480C-B5B0-3E2AE08EDD29Q45904033-6E336859-FB3B-4A7A-B226-0D41E4E75BF0Q50493058-1CF45AE8-9EB0-4730-B999-E12147A8E344Q51017556-A912E19E-614C-4A8A-A2C2-5DF8FBF4F559Q51922244-7626B8F3-98F3-4611-91BE-3A9B90DE06DEQ79897882-5CE4F386-3938-489F-8A79-A332E3FEE54DQ83388719-49B374B7-85BB-4574-9BEF-8FD16F86932EQ84268823-62FA1352-FF3A-43F6-94B8-F2CC5B75697FQ84881159-C5BB301E-62A3-4F6C-8663-B6B5070B1B4DQ86760387-59660FA0-F598-498D-96D9-C422830094B4Q92459609-46ED597E-629B-43EF-AA7E-9F10885CC75AQ92664858-3ED612C2-B7BB-42AD-AC6A-6939807940AD
P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Noriyuki Minezawa
@ast
Noriyuki Minezawa
@en
Noriyuki Minezawa
@es
Noriyuki Minezawa
@nl
Noriyuki Minezawa
@sl
type
label
Noriyuki Minezawa
@ast
Noriyuki Minezawa
@en
Noriyuki Minezawa
@es
Noriyuki Minezawa
@nl
Noriyuki Minezawa
@sl
prefLabel
Noriyuki Minezawa
@ast
Noriyuki Minezawa
@en
Noriyuki Minezawa
@es
Noriyuki Minezawa
@nl
Noriyuki Minezawa
@sl
P106
P21
P31
P496
0000-0003-0054-713X
P569
2000-01-01T00:00:00Z