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First hyperpolarizabilities of triazine derivatives. Ab initio studies and Hammett correlation
Gyoosoon Park
, Bong Rae Cho
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Corresponding author for this work
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Article
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peer-review
25
Citations (Scopus)
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Keyphrases
Ab Initio Methods
33%
Ab Initio Study
100%
Bond Length Alternation
66%
Chromophore Structure
33%
Conjugation Length
33%
Donor Strength
33%
Electronic Charge
33%
First Hyperpolarizability
100%
Gas Phase
33%
Hammett Correlation
100%
HOMO-LUMO Gap
33%
Linear Relationship
33%
Octupole
33%
Strong Donor
33%
Substituent Constants
33%
Triazine Derivatives
100%
Two Dimensional
33%
Chemistry
Band Gap
33%
Bond Length
66%
Calculation Method
33%
Chromophore
33%
Donor
66%
electronics
33%
Hyperpolarizability
100%
Lowest Unoccupied Molecular Orbital
33%
Substituent Constant
33%
Triazine
100%