Ab initio calculations of the tautomerism, the acidity and the basicity of 1-methyl-pyrazoline-2-one-5 and the corresponding sulphur and selenium analogs;ab initio-rechnungen zur tautomerie, acidität und basizität von 1-methyl-pyrazolin-2-on-5 und seinen schwefel und selen analogen

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 52, Issue 4, 1997, Pages 535-542

  Tschmutova, Galina ^a   Ahlbrecht, Hubertus ^b  

^a KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^b JUSTUS LIEBIG UNIVERSITY   (Germany)

Author keywords

1 Methylpyrazoline 2 selenone 5; 1 Methylpyrazoline 2 thione 5; Basicity, 1 Methylpyrazoline 2 one 5; Tautomerism

Indexed keywords

ALKALINITY; CALCULATIONS; CONFORMATIONS; POSITIVE IONS; PROTONATION; QUANTUM CHEMISTRY; SULFUR COMPOUNDS;

1-METHYLPYRAZOLINE-2-SELENONE-5; 1-METHYLPYRAZOLINE-2-THIONE-5; AB INITIO CALCULATIONS; NEUTRAL COMPOUNDS; QUANTUM CHEMICAL CALCULATIONS; RELATIVE STABILITIES; RELIABLE RESULTS; TAUTOMERISM;

SELENIUM COMPOUNDS;

EID: 0039971654     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-1997-0415     Document Type: Article

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