Shaama Mallikarjun Sharada
University of California, Santa Barbara(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Electrocatalysts for Energy Conversion, CO2 Reduction Techniques and Catalysts, Catalysis and Oxidation Reactions, Catalytic Processes in Materials Science
Most-Cited Works
- → Advances in molecular quantum chemistry contained in the Q-Chem 4 program package(2014)3,103 cited
- → Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies(2014)186 cited
- → SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces(2017)122 cited
- → A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis(2018)105 cited
- → Automated Transition State Searches without Evaluating the Hessian(2012)101 cited
- → Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset(2019)83 cited
- → Ethane and propane dehydrogenation over PtIr/Mg(Al)O(2015)76 cited
- → Insights into the Kinetics of Cracking and Dehydrogenation Reactions of Light Alkanes in H-MFI(2013)69 cited
- → Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO 2 reduction catalysts(2020)65 cited
- → Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Brønsted Acid Sites in Zeolites(2015)57 cited