Precise PPP molecular orbital calculations of the excitation energies of polycyclic aromatic hydrocarbons. Part 2: Evaluation of the spectrochemical softness parameter based on the spectroactive partial structure of a molecule
- Author
- HIRUTA, K1 ; TOKITA, S1 ; NISHIMOTO, K
[1] Department of Applied Chemistry, Faculty of Engineering, Saitama University, 255 Shim-Ohkubo, Urawa, 338, Saitama, Japan - Source
Dyes and pigments. 1996, Vol 31, Num 4, pp 309-322 ; ref : 18 ref
- CODEN
- DYPIDX
- ISSN
- 0143-7208
- Scientific domain
- Chemical industry parachemical industry
- Publisher
- Elsevier, Oxford
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Colorant organique Composé benzénique condensé Composé polycyclique Energie excitation Etude théorique Méthode LCAO MO Méthode semiempirique
- Keyword (en)
- Organic dye Condensed benzenic compound Polycyclic compound Excitation energy Theoretical study LCAO MO method Semiempirical method
- Keyword (es)
- Colorante orgánico Compuesto bencénico condensado Compuesto policíclico Energía excitación Estudio teórico Método LCAO MO Método semiempírico
- Classification
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D08 Chemical industry and chemicals / 001D08A Industrial chemicals / 001D08A04 Dyes, pigments
- Discipline
- Chemical and parachemical industries
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3175441
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
10.1016/0143-7208(96)00006-X 
https://dx.doi.org/10.1016/0143-7208(96)00006-X
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