Abhijit Kumar Das
Senior Professor
Spectroscopy
Indian Association for the Cultivation of Science
India
Biography
Academic qualifications: B.Sc., Ramakrishna Residential College, Narendrapur, Calcutta University. M.Sc., Science College, Rajabazar, Calcutta University. Ph.D., Indian Association for the Cultivation of Science, Jadavpur University. Post-doctoral experience: 1996-97 Department of Chemistry, University of New Brunswick, NB, Fredericton, Canada (Advisor: Professor A. J. Thakkar) . 2000-02 JSPS Fellow, Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto University, Kyoto, Japan (Advisor: Professor Hiroshi Nakatsuji) Positions held (in chronological order): University/Institution Period Position Indian Association for the Cultivation 1998 to 2001 Lecturer of Science, Dept. of Spectroscopy Indian Association for the Cultivation 2001 to 2005 Senior Lecturer of Science, Dept. of Spectroscopy Indian Association for the Cultivation 2005 to 2010 Associate Professor of Science, Dept. of Spectroscopy Indian Association for the Cultivation 2010 to 2015 Professor of Science, Dept. of Spectroscopy Indian Association for the Cultivation 2015 to date Senior Professor of Science, Dept. of Spectroscopy
Research Interest
Theoretical Study of Biological and Toxic componds Development of methodology to study van der Waals complexes. Reaction mechanism to detoxify model Nerve agents in gas phase and on surface. Hydrogen storage materials. Chemical Vapor Deposition (CVD) from single source precursor. Clusters and Catalytic oxidation on oxide clusters. Controlling agostic phenomena by substitution and orientation Structure and reactivity of Endohedral Metallofullerens (EMFs) Binding interaction of metal ions with artificial amino acids
Publications
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Mechanistic insight into the molecular TiO2-mediated gas phase detoxication of DMMP: a theoretical approach Tamalika Ash, Tanay Debnath, Avik Ghosh and Abhijit K. Das* Chem. Res. Toxicol. 30, 1177 (2017)
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Potentiality of Methylamine-water mixture as a chemical hydrogen storage system in presence of Ru-pincer catalyst: a systematic DFT study Tanay Debnath, Tamalika Ash, Avik Ghosh, Subhendu Sarkar and Abhijit K. Das* (Communicated, 2017)
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Theoretical analysis of tautomerism of Succinimide and analogous compounds: Insights from DFT approach Subhendu Sarkar, Tamalika Ash, Tanay Debnath and Abhijit K. Das* (Communicated, 2017)
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Catalytic conversion of CO by PNP-pincer complexes: theoretical insights into the unprecedented reaction mechanism Tamalika Ash, Tanay Debnath and Abhijit K. Das* (Communicated, 2017)
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Towards a comprehensive understanding of the Si(100)-2x1 surface termination through hydrogen passivation using small molecules: a theoretical approach Tanay Debnath, Tamalika Ash, Subhendu Sarkar and Abhijit K. Das* (Communicated, 2017)
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Exploration of H2X (X=O, S, Se) and HY (Y=F, Cl, Br) assisted H2-release from ammonia-borane and related compounds: Mechanistic Insights from Theoretical Viewpoint Avik Ghosh, Tamalika Ash, Tanay Debnath, Abhijit K. Das* (Communicated, 2017)
