Zobrazeno 1 - 10
of 228
pro vyhledávání: '"Neeraj Misra"'
Publikováno v:
Frontiers in Chemistry, Vol 9 (2021)
Externí odkaz:
https://doaj.org/article/4619429d98f843629793d0ff8877a940
Publikováno v:
Entropy, Vol 12, Iss 5, Pp 1125-1144 (2010)
In molecular sciences, the estimation of entropies of molecules is important for the understanding of many chemical and biological processes. Motivated by these applications, we consider the problem of estimating the entropies of circular random vect
Externí odkaz:
https://doaj.org/article/09625741b81442cebed64b9ba99bc530
Publikováno v:
E-Journal of Chemistry, Vol 6, Iss 1, Pp 183-188 (2009)
A complete normal coordinate analysis was performed for neoandrographolide in terms of the calculation by using Wilson’s G-F matrix method and Urey Bradley force field. Andrographis paniculata has been reported for its potent hepatoprotective. Andr
Externí odkaz:
https://doaj.org/article/0ccb12ea4c094846948858416f3428c4
Publikováno v:
E-Journal of Chemistry, Vol 5, Iss 4, Pp 723-735 (2008)
A complete normal coordinate analysis was performed by two different methods: a classical Wilson G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate non rigid triphenyl antimony diester SbPh3(O2CR)2,[R=C6H4OH-
Externí odkaz:
https://doaj.org/article/4fe1123276fc4f209a302800cf05c41d
Publikováno v:
ChemistryOpen, Vol 13, Iss 7, Pp n/a-n/a (2024)
Abstract Superalkalis (SAs) are exotic clusters having lower ionization energy than alkali atoms, which makes them strong reducing agents. In the quest for the reduction of diatomic molecules (X2) such as N2, O2, and H2 using Møller‐Plesset pertur
Externí odkaz:
https://doaj.org/article/524b28cff714418eaefa7bf54ecfb518
Publikováno v:
Journal of Spectroscopy, Vol 2013 (2013)
For 1,2-cyclobutanedione and cyclobutanone, we have carried out a comparative study of different methods like B3LYP, LSDA, and B3PW91 of DFT using 6-31G (d, p) basis set and MP2 method. On comparing these methods we find that B3PW91 method is closer
Externí odkaz:
https://doaj.org/article/278456dea48e4549b7429c38f7e0ff0d
This book is a guide for researchers, academics and experimentalists who wish to explore density functional theory (DFT) on selected molecular systems. The salient features of the book include concise and complete coverage of DFT on biologically acti
Autor:
null Masihuddin, Neeraj Misra
Publikováno v:
Journal of Biopharmaceutical Statistics. :1-26
A common problem faced in clinical studies is that of estimating the effect of the most effective (e.g., the one having the largest mean) treatment among $k~(\geq2)$ available treatments. The most effective treatment is adjudged based on numerical va
Autor:
null Masihuddin, Neeraj Misra
Publikováno v:
Stat. 12
Publikováno v:
Materials Advances. 3:5836-5844
Pro-gelator 1 shows visual detection of Ag+ ion through sol-to-gel conversion. Additionally, it exhibits the selective sensing of Hg2+ ion over a series of metal ions in solution.