Isbn: 9786139988730 - synthesis and ab initio study of biologically important thioamide (9 risultati)

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Taschenbuch. Condizione: Neu. Synthesis and AB initio study of biologically important thioamide | Farah Muaiad (u. a.) | Taschenbuch | 116 S. | Englisch | 2019 | LAP LAMBERT Academic Publishing | EAN 9786139988730 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu.…

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Thioamide group is an important part of a large number of drug structures, yet there is no description for infrared spectra and coordination behavior.Three compounds i.e. dithiooxamide ( DTO) , n- propyl ( PDTO) and Schiff base ( SDTO) derivatives of DTO were chosen for the present experimental work and theoretical treatment , in addition of copper (II) complexes of DTO and SDTO.All the prepared compounds were isolated and characterized by their melting points, vibration and electronic spectra, metal analysis, thermal analysis and magnetic measurements.The ab initio method at high level was used for calculating the relative energies and infrared spectra of the three prepared compounds ( DTO,PDTO and SDTO) , the ab initio calculations indicating the tautomeric structure of DTO and help to predict the most stable structure among the four probable. PM3 method was used for calculation of binding energies for the probable geometries of copper ( II) complexes with DTO and SDTO. AMI method was used in calculating the electrostatic potential and HOMO-LUMO of the reactant molecules; thereby the reactive sites were characterized. 116 pp. Englisch. …

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Thioamide group is an important part of a large number of drug structures, yet there is no description for infrared spectra and coordination behavior.Three compounds i.e. dithiooxamide ( DTO) , n- propyl ( PDTO) and Schiff base ( SDTO) derivatives of DTO were chosen for the present experimental work and theoretical treatment , in addition of copper (II) complexes of DTO and SDTO.All the prepared compounds were isolated and characterized by their melting points, vibration and electronic spectra, metal analysis, thermal analysis and magnetic measurements.The ab initio method at high level was used for calculating the relative energies and infrared spectra of the three prepared compounds ( DTO,PDTO and SDTO) , the ab initio calculations indicating the tautomeric structure of DTO and help to predict the most stable structure among the four probable. PM3 method was used for calculation of binding energies for the probable geometries of copper ( II) complexes with DTO and SDTO. AMI method was used in calculating the electrostatic potential and HOMO-LUMO of the reactant molecules; thereby the reactive sites were characterized. …

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Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Muaiad FarahFarah Muaiad: Department of Chemistry,College of Science,AL-Nahrain University, Baghdad, Iraq.Thioamide group is an important part of a large number of drug structures, yet there is no description for infrared spectra.…

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Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Thioamide group is an important part of a large number of drug structures, yet there is no description for infrared spectra and coordination behavior.Three compounds i.e. dithiooxamide ( DTO) , n- propyl ( PDTO) and Schiff base ( SDTO) derivatives of DTO were chosen for the present experimental work and theoretical treatment , in addition of copper (II) complexes of DTO and SDTO.All the prepared compounds were isolated and characterized by their melting points, vibration and electronic spectra, metal analysis, thermal analysis and magnetic measurements.The ab initio method at high level was used for calculating the relative energies and infrared spectra of the three prepared compounds ( DTO,PDTO and SDTO) , the ab initio calculations indicating the tautomeric structure of DTO and help to predict the most stable structure among the four probable. PM3 method was used for calculation of binding energies for the probable geometries of copper ( II) complexes with DTO and SDTO. AMI method was used in calculating the electrostatic potential and HOMO-LUMO of the reactant molecules; thereby the reactive sites were characterized.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 116 pp. Englisch. …