Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer
- Author
- HEAD-GORDON, M1 ; HEAD-GORDON, T
[1] Univ. California, dep. chemistry, Berkeley CA 94720, United States - Source
Chemical physics letters. 1994, Vol 220, Num 1-2, pp 122-128 ; ref : 33 ref
- CODEN
- CHPLBC
- ISSN
- 0009-2614
- Scientific domain
- General chemistry, physical chemistry; Atomic molecular physics; Condensed state physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Agrégat moléculaire Composé minéral Corrélation électronique Eau Etat vibrationnel Etude théorique Liaison hydrogène Partition Moller Plesset (H2O)6 H O
- Keyword (en)
- Molecular clusters Inorganic compounds Electron correlation Water Vibrational states Theoretical study Hydrogen bonds Moller Plesset partition
- Keyword (es)
- Partición Moller Plesset
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A25 Electron correlation calculations for atoms and molecules
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C15 Properties of molecules and molecular ions / 001B30C15M Rotation, vibration and vibration-rotation constants
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30F Studies of special atoms, molecules and their ions; clusters / 001B30F40 Atomic and molecular clusters
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4016777
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
10.1016/0009-2614(94)00116-2 
https://dx.doi.org/10.1016/0009-2614(94)00116-2
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