Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems.
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Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.A simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds.Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories.Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs.How Does Thymine DNA Survive Ultrafast Dimerization Damage?Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study.
P2860
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems.
description
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name
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@en
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@nl
type
label
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@en
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@nl
prefLabel
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@en
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@nl
P356
P1476
Multiconfigurational Second-Or ...... ent of Photochemical Problems.
@en
P2093
Francesco Aquilante
P304
P356
10.1021/ACS.JCTC.5B00479
P577
2015-08-01T00:00:00Z