Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.
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Energy Ordering of Molecular Orbitals.Collision-induced thermochemistry of reactions of dissociation of glycyl-homopeptides-An experimental and theoretical analysis.An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation.The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy.Electronic structure of BN-aromatics: Choice of reliable computational tools.
P2860
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年學術文章
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2016年學術文章
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name
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@en
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@nl
type
label
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@en
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@nl
prefLabel
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@en
Accurate Ionization Potentials ...... Corrected Hybrid Functionals.
@nl
P50
P356
P1476
Accurate Ionization Potentials ...... e Corrected Hybrid Functionals
@en
P2093
Lukas Gallandi
P304
P356
10.1021/ACS.JCTC.5B00873
P577
2016-01-25T00:00:00Z