Theoretical investigations on chalcogen-chalcogen interactions : What makes these nonbonded interactions bonding?
- Author
- BLEIHOLDER, Christian1 2 ; WERZ, Daniel B1 3 ; KÖPPEL, Horst4 ; GLEITER, Rolf1
[1] Organisch-Chemisches Institut der Universität Heidelberg, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany
[2] Deutsches Krebsforschungszentrum (DKFZ), Im Neuenheimer Feld 280, 69120 Heidelberg, Germany
[3] Laboratorium für Organische Chemie, Wolfgang-Pauli-Strasse 10, Swiss Federal Institute of Technology Zürich, ETH-Hönggerberg, HCI F 306, 8093 Zürich, Switzerland
[4] Physikalisch-Chemisches Institut der Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany - Source
Journal of the American Chemical Society. 2006, Vol 128, Num 8, pp 2666-2674, 9 p ; ref : 51 ref
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul Hartree Fock Energie interaction Etude théorique Interaction moléculaire Interaction électronique Interaction électrostatique Méthode amas couplé Surface énergie potentielle 1,6,12,17-Tétrathiacyclodocosa-2,4,13,15-tétrayne Chalcogène Composé
- Keyword (en)
- Hartree-Fock calculations Interaction energy Theoretical study Molecular interaction Electron interaction Electrostatic interaction Coupled cluster method Potential energy surfaces Chalcogen Compounds
- Keyword (es)
- Energía interacción Interacción molecular Interacción electrónica Interacción electrostática Método conglomerado acoplado Calcógeno Compuesto
- 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) / 001B30A15D Coupled cluster theory
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 17720203
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
10.1021/ja056827g 
https://dx.doi.org/10.1021/ja056827g
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