Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Árpád István Kiss"'
Publikováno v:
Acta Alimentaria. 42:79-90
An amperometric biosensor for the detection of organophosphorus and carbamate type pesticides was developed. Acetylcholinesterase enzyme (electric eel) was immobilized in a thin-layer enzyme cell, and acetylthiocholine chloride (AcTCh) was used as su
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 123:85-95
We have applied a recently developed method for the conformational analysis of the Asp-102, His-57 and Ser-195 catalytic triad of α-chymotrypsin. The method is based on the semiempirical CNDO/2 parametrization and makes use of a bond orbital framewo
Autor:
Antal Lopata, Árpád István Kiss
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 104:411-420
Semiempirical NDDO calculations using experimental molecular geometries have been performed for all staggered and eclipsed forms of ethane and all the fluoroethanes. The NDDO method produces correct results for the stabilities of molecules with only
Autor:
Árpád István Kiss, Antal Lopata
Publikováno v:
Computers & Chemistry. 3:107-112
A new iterative procedure has been developed for the solution of problems arising from overdetermined experimental molecular geometries occuring in the computation of atomic Cartesian coordinates. The treatment of coordinate calculations is an extend
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 86:41-62
The cis, trans, and gauche conformations of the methyl esters of formic and thiolformic acids have been investigated by different semiempirical methods. Total geometry optimization (CNDO/2, MINDO/3) and bond angle optimization (PCILO, NDDO) have been
Autor:
Antal Lopata, Árpád István Kiss
Publikováno v:
Chemischer Informationsdienst. 15
Semiempirical NDDO calculations using experimental molecular geometries have been performed for all staggered and eclipsed forms of ethane and all the fluoroethanes. The NDDO method produces correct results for the stabilities of molecules with only