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Quantum chemical characterization of singlet and triplet didehydroindenes
Christopher J. Cramer
, Jason Thompson
Administration (RIO)
Research output
:
Contribution to journal
›
Article
›
peer-review
30
Scopus citations
Overview
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Dive into the research topics of 'Quantum chemical characterization of singlet and triplet didehydroindenes'. Together they form a unique fingerprint.
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Keyphrases
Quantum Chemistry
100%
Chemical Characterization
100%
Triplet
100%
Singlet
100%
Biradical
100%
Multireference
33%
Density Functional
33%
Low Energy
33%
Proton
33%
Structural Properties
33%
Second-order Perturbation Theory
33%
Coupled Cluster
33%
Energetic Properties
33%
Singlet-triplet Splitting
33%
Hyperfine Splitting
33%
Stabilization Energy
33%
Triplet State
33%
Singlet State
33%
Five-membered Rings
33%
Degree of Interaction
33%
Energy Splitting
33%
Cluster Density
33%
State Energy
33%
Monoradicals
33%
Chemistry
Energetics
100%
k·p perturbation theory
100%
Coupled Cluster
100%
Stabilization Energy
100%
Singlet State
100%
Triplet State
100%
Singlet-Triplet Splitting
100%
Hyperfine Splitting
100%
Perturbation Theory
100%