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A THEORETICAL STUDY OF THE CSH4 AND CPH5 HYPERSURFACES. GEOMETRIES, TAUTOMERIZATION, AND DISSOCIATION OF SULFONIUM AND PHOSPHONIUM YLIDES

Author
MITCHELL DJ; WOLFE S; SCHLEGEL HB
QUEEN'S UNIV., DEP. CHEM./KINGSTON ON K7L 3N6/CAN
Source
CAN. J. CHEM.; ISSN 0008-4042; CAN; DA. 1981; VOL. 59; NO 23; PP. 3280-3292; ABS. FRE; BIBL. 44 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO DIMENSION BASE ORBITALE GAUSSIENNE METHODE MO COMPOSE ORGANIQUE MODELE YLURE TAUTOMERE FORME PROTONEE DISTRIBUTION CHARGE ELECTRONIQUE ENERGIE TOTALE DOUBLET ELECTRONIQUE LIBRE SURFACE POTENTIEL CONFORMATION SULFURANE ORGANIQUE PHOSPHORANE ORGANIQUE HYDROGENE SULFURE PHOSPHINE SULFURANE(METHYLENE) PHOSPHORANE(METHYLENE) METHANETHIOL METHYLPHOSPHINE METHYLENE DECOMPOSITION CHIMIQUE AFFINITE PROTONIQUE ROTATION INTERNE BARRIERE ROTATION INVERSION CONFORMATION BARRIERE INVERSION LIAISON HYPERVALENTE PHOSPHINE MINERALE CARBENE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD BASIS SET SIZE GAUSSIAN ORBITAL MO METHOD ORGANIC COMPOUNDS MODELS YLIDE PROTONATED FORM ELECTRON CHARGE DISTRIBUTION TOTAL ENERGY FREE ELECTRON PAIR POTENTIAL SURFACE CONFORMATION ORGANIC SULFURANE ORGANIC PHOSPHORANE HYDROGEN SULFIDES PHOSPHINE MOLECULAR PHYSICS ATOMIC PHYSICS
Keyword (es)
FISICA MOLECULAR FISICA ATOMICA
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics

Discipline
Atomic and molecular physics
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
PASCAL82X0163900

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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