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Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)

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Main Authors: Ali Hussain, Reshak, Prof. Dr., Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr., Sushil, Auluck, Prof
Other Authors: maalidph@yahoo.co.uk
Format: Article
Language:English
Published: Springer Science+Business Media New York. 2014
Subjects:
Bonding property
Electronic crystals
Hydrogen bonds
Crystallographic plane
Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/35660
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spelling my.unimap-356602014-06-18T01:32:38Z Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4) Ali Hussain, Reshak, Prof. Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. Sushil, Auluck, Prof maalidph@yahoo.co.uk kamarudin@unimap.edu.my sauluck@iitk.ac.in Bonding property Electronic crystals Hydrogen bonds Crystallographic plane Link to publisher's homepage at http://link.springer.com/ Electronic crystal structure, bonding properties, and the electron charge densities of 2,4-dihydroxybenzaldehyde-4-nitrophenylhydrazone (2,4-DHNPH,C 13H11N3O4) crystal are theoretically investigated. Calculations are performed with local density approximation; generalized gradient approximation, the Engel-Vosko generalized gradient approximation, and modified Becke-Johnson potential. We present the results of the total and partial (C, N, O, H atoms) density of states. Furthermore, the electronic charge density space distribution contours in the (1 1 0) crystallographic plane, which gives better insight picture of chemical bonding were calculated to understand the effect of hydrogen bonding on the crystal structure of 2,4-DHNP. 2014-06-18T01:32:38Z 2014-06-18T01:32:38Z 2013-05 Article Journal of Materials Science, vol.48(10), 2013, pages 3805-3811 0022-2461 http://link.springer.com/article/10.1007%2Fs10853-013-7181-4 http://dspace.unimap.edu.my:80/dspace/handle/123456789/35660 10.1007/s10853-013-7181-4 en Springer Science+Business Media New York.
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic Bonding property
Electronic crystals
Hydrogen bonds
Crystallographic plane
spellingShingle Bonding property
Electronic crystals
Hydrogen bonds
Crystallographic plane
Ali Hussain, Reshak, Prof. Dr.
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Sushil, Auluck, Prof
Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
description Link to publisher's homepage at http://link.springer.com/
author2 maalidph@yahoo.co.uk
author_facet maalidph@yahoo.co.uk
Ali Hussain, Reshak, Prof. Dr.
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Sushil, Auluck, Prof
format Article
author Ali Hussain, Reshak, Prof. Dr.
Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.
Sushil, Auluck, Prof
author_sort Ali Hussain, Reshak, Prof. Dr.
title Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
title_short Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
title_full Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
title_fullStr Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
title_full_unstemmed Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
title_sort electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (c13h 11n3o4)
publisher Springer Science+Business Media New York.
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/35660
_version_ 1643797794957295616
score 13.214268

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