9786138330523 - INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes di Ansari, J. R.; Khan, Ariba; Ansari, W. H. (8 risultati)

Condizione: New.

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Using the INDO method of Salahub and Sandorfy and the bonding parameters of the RINDO method after slightly modifying the weighting factor, the electronic spectra of nitro-alkanes in particular nitro-methane, nitro-ethane, nitro-propane and nitro-butane, were calculated after including lowest thirty singly excited Hartree-Fock states in the Configuration Interaction (CI) process. The results are in good agreement with experiment. The semi empirical self consistent field (SCF) methods, namely the CNDO and the INDO, developed by Pople and co-workers have long been used to study the electronic structure and spectra organic and inorganic molecules. To calculate the atomic co-ordinates, the program PROXYZ, obtained from the QCPE, USA and made available to us by Prof. G.Govil of the TIFR, Bombay was used. The plane containing the NO2 group was taken as the XZ plane. 80 pp. Englisch.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Ansari J. R.J.R. Ansari has submitted his Ph.D thesis and has completed his M.Sc (Physics) from JMI, Delhi. He has published books on Engineering Physics and research papers on Nanomaterials in SCI journals.He is having 12 years of r.

Condizione: New. Print on Demand.

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Using the INDO method of Salahub and Sandorfy and the bonding parameters of the RINDO method after slightly modifying the weighting factor, the electronic spectra of nitro-alkanes in particular nitro-methane, nitro-ethane, nitro-propane and nitro-butane, were calculated after including lowest thirty singly excited Hartree-Fock states in the Configuration Interaction (CI) process. The results are in good agreement with experiment. The semi empirical self consistent field (SCF) methods, namely the CNDO and the INDO, developed by Pople and co-workers have long been used to study the electronic structure and spectra organic and inorganic molecules. To calculate the atomic co-ordinates, the program PROXYZ, obtained from the QCPE, USA and made available to us by Prof. G.Govil of the TIFR, Bombay was used. The plane containing the NO2 group was taken as the XZ plane.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 80 pp. Englisch.

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Using the INDO method of Salahub and Sandorfy and the bonding parameters of the RINDO method after slightly modifying the weighting factor, the electronic spectra of nitro-alkanes in particular nitro-methane, nitro-ethane, nitro-propane and nitro-butane, were calculated after including lowest thirty singly excited Hartree-Fock states in the Configuration Interaction (CI) process. The results are in good agreement with experiment. The semi empirical self consistent field (SCF) methods, namely the CNDO and the INDO, developed by Pople and co-workers have long been used to study the electronic structure and spectra organic and inorganic molecules. To calculate the atomic co-ordinates, the program PROXYZ, obtained from the QCPE, USA and made available to us by Prof. G.Govil of the TIFR, Bombay was used. The plane containing the NO2 group was taken as the XZ plane.

Taschenbuch. Condizione: Neu. INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes | J. R. Ansari (u. a.) | Taschenbuch | 80 S. | Englisch | 2018 | LAP LAMBERT Academic Publishing | EAN 9786138330523 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu Print on Demand.

Condizione: New. PRINT ON DEMAND.