The Dixit Lab (CELL)
The Dixit Lab (CELL)
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Mechanistic Insight of High-Valent First-Row Transition Metal Complexes for Dehydrogenation of Ammonia Borane
Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study
Photoelectrochemical splitting of water with nanocrystalline Zn1- xMnxO thin films: First-principle DFT computations supporting the systematic experimental endeavor
Atomistic details of effect of disulfide bond reduction on active site of Phytase B from Aspergillus niger: A MD Study
Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs
Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5
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