Hrant P. Hratchian
University of California, Merced(US)NOAA Chemical Sciences Laboratory(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Catalytic Processes in Materials Science, Catalysis and Oxidation Reactions, Magnetism in coordination complexes
Most-Cited Works
- → Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method(2004)973 cited
- → Accurate reaction paths using a Hessian based predictor–corrector integrator(2004)936 cited
- → Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces(2005)352 cited
- → First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances(2009)129 cited
- → Combined Experimental and Computational Investigation of the Mechanism of Nickel-Catalyzed Three-Component Addition Processes(2004)109 cited
- → QM:QM electronic embedding using Mulliken atomic charges: Energies and analytic gradients in an ONIOM framework(2008)104 cited