Yazar "Güven, A" için listeleme
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Acidity study on 3-substituted pyridines
Güven, A (MDPI AG, 2005)A comprehensive theoretical study for the protonation of some 3-substituted pyridines has been carried out in aqueous solution (epsilon = 78.4) by semi empirical AM1 method in MOPAC2000 and PM5 method in MOPAC2002. Solvent ... -
Acidity study on some pyridazines
Güven, A (Elsevier Science BV, 2004)The tautomeric, conformational equilibrium positions, and pK(a) values of some pyridazine derivatives 1-17 have been examined by means of semi empirical AM1 COSMO calculations in aqueous solution (epsilon=78.4). The results ... -
Investigation of the structure and properties of the potentially tautomeric 5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazines in the gas and aqueous phases using the AM1 and PM3/COSMO solvation method
Güven, A; Öğretir, C (Elsevier Science BV, 1998)The potentially tautomeric 5.7-dimethyl-6H-pyrrolo[3,4-d]pyidazines 2H and 6H, and their fixed tautomeric forms were studied in order to predict the most stable form by the restricted Hartree-Foch approach using semiempirical ... -
Investigation of the structure and the properties of the potentially tautomeric 1,2-dihydro-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazine-1-ones in the gas and aqueous phases using semiempirical methods
Güven, A; Öğretir, C (Elsevier Science BV, 1998)Potentially tautomeric 1,2-dihydro-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazine-1-ones and their fixed tautomeric forms have been studied, in order to predict their tautomeric equilibrium constants and pK(a) values, using ... -
Investigation of the structure of and the properties of the potentially tautomeric 1,2,3,4-tetrahydro-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazine-1,4-diones in the gaseous and aqueous phases using the AM1 semi-empirical method
Güven, A; Öğretir, C (Elsevier Science BV, 1998)Potentially tautomeric 1,2,3,4-tetrahydro-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazine-1,4-diones and their fixed tautomeric forms have been studied in order to predict their tautomeric equilibrium constants and pK(a) values ... -
Prediction of the acidities of organic bases in aqueous solution using AM1 COSMO solvation model
Güven, A; Yekeler, H; Özkan, R (Elsevier Science BV, 2000)Potentially tautomeric pyrazole-3-ones were studied, in order to predict their tautomeric equilibrium constants and pK(a) values, using the semiempirical AM1 COSMO solvation model at the SCF level in aqueous solution. Syn ... -
A study on the pyrazoles: tautomerism, conformation, acidity, and basicity by means of AM1 semiempirical method in the gas and aqueous solution
Güven, A; Kanışkan, Nevin (Elsevier Science BV, 1999)A comprehensive theoretical study of some pyrazolones and their fixed model compounds is presented. The tautomeric equilibrium and acidity constants of these compounds have been investigated both in the gas and aqueous ...
