Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Swatantra Kumar Yadav"'
Publikováno v:
ACS Omega, Vol 4, Iss 3, Pp 5509-5516 (2019)
Externí odkaz:
https://doaj.org/article/7b200221ba994f0fbb089fa8ee0fff67
Publikováno v:
ACS Omega, Vol 4, Iss 3, Pp 5509-5516 (2019)
ACS Omega
ACS Omega
The present study demonstrates the near-field effect of silver nanostructure island films (SNIFs) on the photophysics and exited-state dynamics of quinine sulphate (QS) and its di-cation (QSD), doped in polyvinyl alcohol (PVA) films. The results indi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::acc3c99e7bc4d8c762f99542ac659046
https://doi.org/10.1021/acsomega.9b00009
https://doi.org/10.1021/acsomega.9b00009
Publikováno v:
National Academy Science Letters. 42:327-331
The topological and energetic properties of the electron density distribution ρ $$ (\vec{r}) $$ for the tin–ligand interaction in n-Bu2SnL, the geometric configuration of which was optimized at B3LYP/6-31G(d,p)/LANL2DZ(Sn) level of theory, have be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d76d26f88b55bcf5745c601bcbd291d7
https://doi.org/10.1007/s40009-018-0756-5
https://doi.org/10.1007/s40009-018-0756-5
Publikováno v:
Proceedings of the National Academy of Sciences, India Section A: Physical Sciences. 89:223-234
The density functional theory (DFT)-based quantum-chemical calculations have been performed on di-n-butyltin(IV) derivative of glycylphenylalanine (H2L) using the Gaussian 09 software package. The molecular geometry of n-Bu2SnL was optimized at B3LYP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::76efd033a5a5ba58177fbd5e1052bb4a
https://doi.org/10.1007/s40010-018-0582-7
https://doi.org/10.1007/s40010-018-0582-7
Autor:
Ragini Tilak, Sandeep Pokharia, Rachana Joshi, Hirdyesh Mishra, Nidhi Pandey, Swatantra Kumar Yadav
Publikováno v:
Journal of Molecular Structure. 1167:44-56
New diorganotin(IV) derivatives of sparfloxacin having general formula R2SnCl(L), (where L = monoanion of sparfloxacin (HL) and R = n-Bu (1)/Ph (2)) have been synthesized and structurally characterized by elemental analysis, IR, NMR (1H, 13C, 119Sn),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2bd9474fea5a930a5db14f4943e5e1bb
https://doi.org/10.1016/j.molstruc.2018.04.079
https://doi.org/10.1016/j.molstruc.2018.04.079
Autor:
Sandeep Pokharia, Ragini Tilak, Rachana Joshi, Nidhi Pandey, Swatantra Kumar Yadav, Hirdyesh Mishra
Publikováno v:
Journal of Molecular Structure. 1164:386-403
The hydrazino Schiff base (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2,4-dihydro-[1,2,4]triazole-3-thione was synthesized and structurally characterized by elemental analysis, FT-IR, Raman, 1H and 13C-NMR and UV–Vis studies. A density funct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b5f97571844f8d63b94d98648a557e1
https://doi.org/10.1016/j.molstruc.2018.03.081
https://doi.org/10.1016/j.molstruc.2018.03.081
Autor:
Nidhi Pandey, Swatantra Kumar Yadav, Sandeep Pokharia, Hirdyesh Mishra, Mamta Pokharia, Ragini Tilak
Publikováno v:
Journal of Molecular Structure. 1144:324-337
The Schiff base (E)-N3-(2-chlorobenzylidene)-H-1,2,4-triazole-3,5-diamine was synthesised and characterized by FT-IR, Raman, 1H & 13C NMR, UV–Vis and mass spectrometry. A density functional theory based quantum chemical calculations were performed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbc9dc1e4fdb70ef828d85f36fc3d5bd
https://doi.org/10.1016/j.molstruc.2017.05.030
https://doi.org/10.1016/j.molstruc.2017.05.030
Publikováno v:
Main Group Metal Chemistry, Vol 39, Iss 3-4, Pp 77-86 (2016)
The quantum-chemical calculations based on density functional theory (DFT) have been performed on the diphenyltin(IV) derivative of glycyl-phenylalanine (H2L) at the B3LYP/6-31G(d,p)/LANL2DZ(Sn) level of theory without any symmetry constraint. The ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::215199f3ab7f941cd48c3f20dbf3f585
https://doi.org/10.1515/mgmc-2016-0009
https://doi.org/10.1515/mgmc-2016-0009
Autor:
Rajiv Prakash, Arun Kumar Singh, Swatantra Kumar Yadav, Hirdyesh Mishra, Rajiv K. Pandey, Hemlata Bisht
Publikováno v:
Materials Science and Engineering: B. 260:114622
The present paper compiles, the substrate driven nano-morphology of fluorescent semiconducting poly 3-hexylthiophene (P3HT) polymer films and their effects on photophysical, spectral, and electronic behaviour. Surface morphological study reveals regu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b29dfc3560c872d6e1c453a41c480f4b
https://doi.org/10.1016/j.mseb.2020.114622
https://doi.org/10.1016/j.mseb.2020.114622
Publikováno v:
Journal of Chemical Sciences. 127:1839-1844
We report a Density Functional Theoretical (DFT) study of dissociation of Hydrogen Fluoride (HF) in HF(H 2O) 7 cluster, using B3LYP functional and empirical exchange correlation functional M06-2X along with 6-31 + G(d,p) basis set. Dissociation const
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21736d1556c5a209d6003a1f5f2659c7
https://doi.org/10.1007/s12039-015-0951-6
https://doi.org/10.1007/s12039-015-0951-6