about
Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluorone.Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals.Synthesis and photophysics of benzotexaphyrin: a near-infrared emitter and photosensitizer.Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene.Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systems.Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene.State-interaction pair-density functional theoryOpenMolcas: From Source Code to InsightCalculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating Orbitals
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Andrew M Sand
@nl
Andrew M Sand
@sl
Andrew M. Sand
@en
Andrew M. Sand
@es
type
label
Andrew M Sand
@nl
Andrew M Sand
@sl
Andrew M. Sand
@en
Andrew M. Sand
@es
altLabel
Andrew Sand
@en
prefLabel
Andrew M Sand
@nl
Andrew M Sand
@sl
Andrew M. Sand
@en
Andrew M. Sand
@es
P106
P1153
25655393000
P21
P31
P496
0000-0002-7166-2066