MINDO/3 COMPARISON OF THE GENERALIZED SCF COUPLING OPERATOR AND "HALF-ELECTRON" METHODS FOR CALCULATING THE ENERGIES AND GEOMETRIES OF OPEN SHELL SYSTEMS
- Author
- DEWAR MJS; OLIVELLA S
UNIV. TEXAS AUSTIN, DEP. CHEM.,AUSTIN TX 78712,USA - Source
- FARADAY TRANS. 2; ISSN 0300-9238; GBR; DA. 1979; VOL. 75; NO 6; PP. 829-840; BIBL. 29 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- MOLECULE COUCHE INCOMPLETE RADICAL LIBRE MINERAL RADICAL LIBRE ORGANIQUE ETAT FONDAMENTAL ETAT EXCITE ETAT SINGULET ETAT TRIPLET CONFORMATION ENERGIE TOTALE ETUDE THEORIQUE METHODE MINDO 3 METHODE DEMI ELECTRON COMPOSE MINERAL COMPOSE ORGANIQUE MOLECULE TRIATOMIQUE PHYSIQUE ATOMIQUE PHYSIQUE MOLECULAIRE
- Keyword (en)
- OPEN SHELL MOLECULE INORGANIC FREE RADICAL ORGANIC FREE RADICAL GROUND STATE EXCITED STATE SINGLET STATE TRIPLET STATE CONFORMATION TOTAL ENERGY THEORETICAL STUDY MINDO 3 METHOD INORGANIC COMPOUND ORGANIC COMPOUNDS TRIATOMIC MOLECULE ATOMIC PHYSICS MOLECULAR PHYSICS
- Keyword (es)
- FISICA ATOMICA FISICA MOLECULAR
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL8040072460
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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