Studies on Simulation of Spectra of Some Organic Compounds
Keyword(s):
Quantum chemical viz. ab initio or semi-empirical based simulation studies are now prevailing among workers / scientists pursuing their studies in theoretical chemistry. These studies provide better insight for the compounds so far as the studies of their structural orother parameters are concern. Studies involving the packages developed on the basis of ab-initio or semi-empirical methods are proven to be more effective and as a better tool because of number of their advantages. The present communication includes the studies on synthesis or procurement along with the simulation of spectra viz. I.R. of some heterocyclic organic compounds.
2013 ◽
Vol 15
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pp. 1-17
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Keyword(s):
2014 ◽
Vol 16
(28)
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pp. 14368-14377
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Keyword(s):
2000 ◽
Vol 24
(1)
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pp. 125-136
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Keyword(s):
1972 ◽
Vol 15
(3)
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pp. 331-336
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2008 ◽
Vol 870
(1-3)
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pp. 23-30
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2017 ◽
Vol 18
(9)
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pp. 106-117
Keyword(s):
2011 ◽
Vol 131
(3)
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pp. 396-403
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