Effect of chemical change on TDDFT accuracy: orbital overlap perspective of the hydrogenation of retinal
- Author
- DWYER, Austin D1 ; TOZER, David J1
[1] Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom - Source
PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 12, pp 2816-2818, 3 p ; ref : 30 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Energie transition Etude théorique Force oscillateur Hydrogénation Méthode fonctionnelle densité Orbitale Transfert charge 3115E
- Keyword (en)
- Transition energy Theoretical study Oscillator strength Hydrogenation Density functional method Orbital Charge transfer
- Keyword (es)
- Energía transición Estudio teórico Fuerza oscilador Hidrogenación Orbital Transferencia carga
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 22561124
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/c002428g 
https://dx.doi.org/10.1039/c002428g
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