INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes - Couverture souple

Ansari, J. R.; Khan, Ariba ; Ansari, W. H.

9786138330523: INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

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ISBN 10 : 6138330528 ISBN 13 : 9786138330523

Editeur : LAP LAMBERT Academic Publishing, 2018

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�diteur: LAP LAMBERT Academic Publishing
Date d'�dition: 2018
Langue: anglais
ISBN 10: 6138330528
ISBN 13: 9786138330523
Reliure: Broch�
Nombre de pages: 80
Coordonn�es du fabricant: non disponible
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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

J. R. Ansari

Edit� par LAP LAMBERT Academic Publishing Feb 2018, 2018

ISBN 10 : 6138330528 ISBN 13 : 9786138330523

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Taschenbuch. Etat : 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. N� de r�f. du vendeur 9786138330523

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

Ansari, J. R.

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

Ansari, J. R.

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

Ansari, J. R.

ISBN 10 : 6138330528 ISBN 13 : 9786138330523

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

J. R. Ansari|Ariba Khan|W. H. Ansari

Edit� par LAP LAMBERT Academic Publishing, 2018

ISBN 10 : 6138330528 ISBN 13 : 9786138330523

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Etat : 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. N� de r�f. du vendeur 385847326

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

J. R. Ansari

Edit� par LAP LAMBERT Academic Publishing Feb 2018, 2018

ISBN 10 : 6138330528 ISBN 13 : 9786138330523

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Taschenbuch. Etat : 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 Landstra�e 99, 66123 Saarbr�cken 80 pp. Englisch. N� de r�f. du vendeur 9786138330523

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INDO Calculations on Electronic Structure and Spectra of Nitro Alkanes

J. R. Ansari

Edit� par LAP LAMBERT Academic Publishing

ISBN 10 : 6138330528 ISBN 13 : 9786138330523

Neuf Taschenbuch

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Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne

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Taschenbuch. Etat : 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. N� de r�f. du vendeur 9786138330523

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