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Browsing by Subject Density functional theory (DFT)

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Issue DateTitleAuthor(s)
11-Jan-2019Experimental and computational investigations on the high binding-selectivity of pyrimidine derivatives by a pillar[5]areneZhang, Q.; Li, K.; Yang, J.; Qu, G.; Ma, N.; Guo, H.
10-Aug-2016Fluorescence detection by thiourea based probe of physiologically important sodium ionTayade, K.; Chaitanya, G. K.; Singh, J.; Singh, N.; Ingle, S.; Attarde, S.; Kuwar, A.
17-Jul-2022Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: a first principle analysisKumar, G.; Boddepalli, S.; Gutierrez, G.; Srivastava, A.; Ahuja, R.
Showing results 1 to 3 of 3