U
Utpal Sarkar
Researcher at Assam University
Publications - 114
Citations - 3540
Utpal Sarkar is an academic researcher from Assam University. The author has contributed to research in topics: Density functional theory & Graphyne. The author has an hindex of 26, co-authored 114 publications receiving 2629 citations. Previous affiliations of Utpal Sarkar include Indian Institutes of Technology & Indian Institute of Technology Kharagpur.
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Philicity: A Unified Treatment of Chemical Reactivity and Selectivity
TL;DR: A generalized concept of philicity is introduced through a resolution of identity, encompassing electrophilic, nucleophilic, and radial reactions as mentioned in this paper, which is by far the most powerful concept of reactivity and selectivity when compared to the global electrophilicity index, Fukui function, local softness, or global softness.
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Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model
TL;DR: In this paper, an object kinetic Monte Carlo code has been parameterized on ab initio calculations to model the behaviour of helium atoms implanted in tungsten, in the presence or not of the point defects created during the implantation.
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Analyzing Toxicity Through Electrophilicity
Debesh R. Roy,Utpal Sarkar,Pratim Kumar Chattaraj,A. Mitra,J. Padmanabhan,J. Padmanabhan,Ramakrishnan Parthasarathi,V. Subramanian,S. Van Damme,Patrick Bultinck +9 more
TL;DR: It is demonstrated that the toxicity of several toxins (both electron donors and acceptors) in the gas and solution phases can be adequately explained in terms of global and local electrophilicities.
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The Effect of Boron and Nitrogen Doping in Electronic, Magnetic, and Optical Properties of Graphyne
TL;DR: In this paper, the electronic, magnetic, and optical properties of boron-and nitrogen-doped graphyne have been investigated with various doping positions and concentrations of BORON and nitrogen atoms.
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Effect of solvation on the condensed Fukui function and the generalized philicity index
J. Padmanabhan,Ramakrishnan Parthasarathi,Utpal Sarkar,V. Subramanian,Pratim Kumar Chattaraj +4 more
TL;DR: In this article, the effect of solvation on the condensed FF and philicity has been assessed by computing these local quantities in both gas and solvent media, and the implications of the results are discussed.