The shapes and energetics of dimeric lithium and sodium cyanides. Ab initio molecular-orbital calculations
- Author
- MARSDEN, C. J1
[1] Univ. Melbourne, dep. inorganic chemistry, Parkville Victoria 3052, Australia - Source
Journal of the Chemical Society. Dalton transactions. 1984, Num 7, pp 1279-1282 ; ref : 27 ref
- CODEN
- JCDTBI
- ISSN
- 0300-9246
- Scientific domain
- Inorganic chemistry; Crystallography; Atomic molecular physics
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé minéral Conformation Dimère Energie totale Etude théorique Fonction polarisation Isomère Lithium Cyanure Molécule petite Méthode SCF MO Méthode ab initio Orbitale gaussienne Sodium Cyanure Fonction diffuse
- Keyword (en)
- Inorganic compound Conformation Dimer Total energy Theoretical study Polarization function Isomer Lithium Cyanides Small molecule SCF MO method Ab initio method Gaussian orbital Sodium Cyanides
- Keyword (es)
- Sodio
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 9042510
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/dt9840001279 
https://dx.doi.org/10.1039/dt9840001279
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