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Inorganic Chemistry|December 25, 2015
Small Molecule Activation by Constrained Phosphorus Compounds: Insights from TheoryAmrita Pal, Kumar VankaPhysical Chemistry Chemical Physics : PCCP|November 8, 2013
Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT studyAmrita Pal, Kumar VankaDalton Transactions (Cambridge, England : 2003)|August 6, 2013
Proposing late transition metal complexes as frustrated Lewis pairs--a computational investigationAmrita Pal, Kumar VankaChemical Communications (Cambridge, England)|September 9, 2011
A DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenationAmrita Pal, Kumar VankaChemical Communications (Cambridge, England)|June 21, 2014
Can silylenes rival transition metal systems in bond-strengthening π-back donation? A computational investigationAmrita Pal, Kumar VankaChemistry (Weinheim an Der Bergstrasse, Germany)|July 22, 2017
The Unusual Role of Aromatic Solvent in Single-Site Aluminum<sup>I</sup> Chemistry: Insights from TheoryShailja Jain, Kumar VankaInorganic Chemistry|March 30, 2013
Can molecular cages be effective at small molecule activation? A computational investigationNishamol Kuriakose, Kumar VankaDalton Transactions (Cambridge, England : 2003)|June 19, 2015
Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigationNishamol Kuriakose, Kumar VankaThe Journal of Physical Chemistry. A|September 8, 2020
The Effect of Solvent-Substrate Noncovalent Interactions on the Diastereoselectivity in the Intramolecular Carbonyl-Ene and the Staudinger [2 + 2] Cycloaddition ReactionsShailja Jain, Kumar VankaJournal of Computational Chemistry|November 24, 2011
A new approximate method for the stochastic simulation of chemical systems: the representative reaction approachShantanu Kadam, Kumar VankaPageof 20