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Profile
| Academic position | Lecturer, Assistant Professor, Researcher |
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| Research fields | Theoretical Chemistry: Electron Structure, Dynamics, Simulation,Biochemistry |
| Keywords | spectroscopy, Metalloproteins, ORCA, BioInorganic, Nuclear Waste Management |
Current contact address
| Country | India |
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| City | Mumbai |
| Institution | Bhabha Atomic Research Center |
| Institute | Theoretical Chemistry Section, Chemistry Group |
Host during sponsorship
| Prof. Dr. Frank Neese | Institut für Physikalische und Theoretische Chemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn |
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| Start of initial sponsorship | 01/05/2008 |
Program(s)
| 2007 | Humboldt Research Fellowship Programme |
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Publications (partial selection)
| 2008 | Mahesh Sundararajan, Andrew J Campbell and Ian H Hillier: Catalytic cycles for the reduction of [UO2]2+ by cytochrome c7 proteins proposed from DFT calculations. In: Journal of Physical Chemistry B., 2008, |
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| 2008 | Prabha Jayapal, David Robinson, Mahesh Sundararajan, Ian H Hillier, and Joseph J W McDouall.: High level ab initio and DFT calculations of models of the catalytically active Ni¿Fe hydrogenases.. In: Physical Chemistry Chemical Physics., 2008, 1734-1738 |