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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
Published by
LAP LAMBERT Academic Publishing Feb 2018, 2018
ISBN 10: 6138330528
ISBN 13: 9786138330523
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Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
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Taschenbuch. Condition: 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. Seller Inventory # 9786138330523
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
ISBN 10: 6138330528
ISBN 13: 9786138330523
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Seller: Books Puddle, New York, NY, U.S.A.
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
ISBN 10: 6138330528
ISBN 13: 9786138330523
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
ISBN 10: 6138330528
ISBN 13: 9786138330523
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Seller: Biblios, Frankfurt am main, HESSE, Germany
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
Published by
LAP LAMBERT Academic Publishing, 2018
ISBN 10: 6138330528
ISBN 13: 9786138330523
New
Softcover
Seller: moluna, Greven, Germany
Seller rating 5 out of 5 stars
Condition: 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. Seller Inventory # 385847326
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
Published by
LAP LAMBERT Academic Publishing Feb 2018, 2018
ISBN 10: 6138330528
ISBN 13: 9786138330523
New
Taschenbuch
Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: 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. Seller Inventory # 9786138330523
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
Published by
LAP LAMBERT Academic Publishing
ISBN 10: 6138330528
ISBN 13: 9786138330523
New
Taschenbuch
Seller: AHA-BUCH GmbH, Einbeck, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: 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. Seller Inventory # 9786138330523
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes
Published by
LAP LAMBERT Academic Publishing, 2018
ISBN 10: 6138330528
ISBN 13: 9786138330523
New
Taschenbuch
Seller: preigu, Osnabrück, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: 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. Seller Inventory # 112897931