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Showing 9 out of a total of 9 results for community: IITB Publications.
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One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes
KUMAR A.
;
TA S.
;
NETTEM C.
;
TANSKI J.M.
;
RAJARAMAN G.
;
GHOSH P.
(
Royal Society of Chemistry
,
2022
)
Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR) with molecular docking approach on an anticancer and antifungal drug 4‑hydroxy-3-methoxybenzaldehyde
KHANUM G.
;
KUMAR A.
;
SINGH M.
;
FATIMA A.
;
MUTHU S.
;
ABUALNAJA K.M.
;
ALTHUBEITI K.
;
SRIVASTAVA G.
;
SIDDIQUI N.
;
JAVED S.
(
Elsevier B.V.
,
2022
)
The enthralling effect of packing on the light emission of pyridazinone based luminophore: Crystallographic, electronic absorption and computational studies.
YADAV P.
;
VERMA A.
;
SONKER P.
;
SHARMA V.P.
;
KUMAR A.
;
YADAV T.
;
PAL S.
;
SAHA S.
;
TEWARI A.K.
(
Elsevier B.V.
,
2022
)
Tailoring the mechanical response of Ruddlesden Popper lead halide perovskites
GUPTA Y.
;
RATHORE S.
;
SINGH A.
;
KUMAR A.
(
Elsevier Ltd
,
2022
)
Quantum chemical, spectroscopic, hirshfeld surface and molecular docking studies on 2-aminobenzothiazole
KUMAR M.
;
SINGH M.
;
JAISWAR G.
;
LALJI R.S.K.
;
SINGH B.K.
;
SHARMA A.
;
KHANUM G.
;
FATIMA A.
;
KUMAR A.
;
JAIPAL
;
SIDDIQUI N.
;
JAVED S.
(
Elsevier B.V.
,
2022
)
Tailoring the mechanical response of Ruddlesden Popper lead halide perovskites
GUPTA Y.
;
RATHORE S.
;
SINGH A.
;
KUMAR A.
(
Elsevier Ltd
,
2022
)
Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR) with molecular docking approach on an anticancer and antifungal drug 4‑hydroxy-3-methoxybenzaldehyde
KHANUM G.
;
KUMAR A.
;
SINGH M.
;
FATIMA A.
;
MUTHU S.
;
ABUALNAJA K.M.
;
ALTHUBEITI K.
;
SRIVASTAVA G.
;
SIDDIQUI N.
;
JAVED S.
(
Elsevier B.V.
,
2022
)
Quantum chemical, spectroscopic, hirshfeld surface and molecular docking studies on 2-aminobenzothiazole
KUMAR M.
;
SINGH M.
;
JAISWAR G.
;
LALJI R.S.K.
;
SINGH B.K.
;
SHARMA A.
;
KHANUM G.
;
FATIMA A.
;
KUMAR A.
;
JAIPAL
;
SIDDIQUI N.
;
JAVED S.
(
Elsevier B.V.
,
2022
)
The enthralling effect of packing on the light emission of pyridazinone based luminophore: Crystallographic, electronic absorption and computational studies.
YADAV P.
;
VERMA A.
;
SONKER P.
;
SHARMA V.P.
;
KUMAR A.
;
YADAV T.
;
PAL S.
;
SAHA S.
;
TEWARI A.K.
(
Elsevier B.V.
,
2022
)
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Author
KUMAR A. (9)
FATIMA A. (4)
JAVED S. (4)
KHANUM G. (4)
SIDDIQUI N. (4)
SINGH M. (4)
ABUALNAJA K.M. (2)
ALTHUBEITI K. (2)
GUPTA Y. (2)
JAIPAL (2)
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Subject
Density functional theory (9)
Free energy (6)
Surface analysis (6)
Binding energy (4)
Computation theory (4)
Crystal structure (4)
Density-functional-theory (4)
Intermolecular interactions (4)
Molecular docking (4)
Molecular electrostatic potentials (4)
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Date Issued
2022 (9)
Has File(s)
No (9)