Comparison between Investigational IR and Crystallographic Data with Computational Chemistry Tools as Validation of the Methods
Joint Authors
Parameswaran, Geetha
Abdul Jaleel, U. C.
Rakhila, M.
Source
Advances in Physical Chemistry
Issue
Vol. 2010, Issue 2010 (31 Dec. 2010), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2010-05-31
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
Computational tools, specifically molecular mechanical force field (MM+) and semiempirical (PM3) and density functional methods (DFT) are applied to sets of schiff bases and their complexes.
The results are compared with experimental data.
It is also found that the simulated IR spectra are in consistence with the experimental data.
American Psychological Association (APA)
Abdul Jaleel, U. C.& Rakhila, M.& Parameswaran, Geetha. 2010. Comparison between Investigational IR and Crystallographic Data with Computational Chemistry Tools as Validation of the Methods. Advances in Physical Chemistry،Vol. 2010, no. 2010, pp.1-5.
https://search.emarefa.net/detail/BIM-498119
Modern Language Association (MLA)
Abdul Jaleel, U. C.…[et al.]. Comparison between Investigational IR and Crystallographic Data with Computational Chemistry Tools as Validation of the Methods. Advances in Physical Chemistry No. 2010 (2010), pp.1-5.
https://search.emarefa.net/detail/BIM-498119
American Medical Association (AMA)
Abdul Jaleel, U. C.& Rakhila, M.& Parameswaran, Geetha. Comparison between Investigational IR and Crystallographic Data with Computational Chemistry Tools as Validation of the Methods. Advances in Physical Chemistry. 2010. Vol. 2010, no. 2010, pp.1-5.
https://search.emarefa.net/detail/BIM-498119
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-498119
