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Journal of Physical Chemistry C, ISSN 1932-7447, 02/2019, Volume 123, Issue 5, pp. 2973 - 2986
The accurate description of heterogeneously catalyzed reactions may require chemically accurate evaluation of barriers for reactions of molecules at the edges... 
ATOMIC-HYDROGEN | CHEMICALLY ACCURATE SIMULATION | QUANTUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | SCHRODINGER-EQUATION | SURFACE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | DISSOCIATIVE ADSORPTION | SCATTERING | INITIO MOLECULAR-DYNAMICS
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 10/2018, Volume 122, Issue 40, pp. 22939 - 22952
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 04/2019, Volume 123, Issue 16, pp. 10406 - 10418
It is important that theory is able to accurately describe dissociative chemisorption reactions on metal surfaces, as such reactions are often rate-controlling... 
MATERIALS SCIENCE, MULTIDISCIPLINARY | D-2 DISSOCIATION | CHEMISTRY, PHYSICAL | ASSOCIATIVE DESORPTION | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | DISSOCIATIVE ADSORPTION | INITIO MOLECULAR-DYNAMICS | METAL-SURFACE | CLASSICAL DYNAMICS | HD SCATTERING | CHEMICALLY ACCURATE SIMULATION | 6-DIMENSIONAL QUANTUM DYNAMICS
Journal Article
International Journal of Mass Spectrometry, ISSN 1387-3806, 2010, Volume 291, Issue 3, pp. 125 - 132
Mechanistic details of the ion/molecule reactions of cyclometalated [Pt(bipy−H)] with acyclic ethers were uncovered by deuterium-labeling experiments and the... 
2,2′-Bipyridine | C–H activation | Deuterium-labeling | Cyclometalation | Ethers | Platinum | C-H activation | EQUIVALENT METHYL-GROUPS | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | 2,2'-Bipyridine | VALERAMIDE | DISSOCIATION BEHAVIOR | MASS-SPECTROMETRY | SOLVENT | INHERENT ASYMMETRY | SPECTROSCOPY | BOND ACTIVATION | ELECTROSPRAY-IONIZATION
Journal Article
Journal of Biological Chemistry, ISSN 0021-9258, 11/2015, Volume 290, Issue 45, pp. 27040 - 27052
Journal Article
Translational psychiatry, ISSN 2158-3188, 10/2016, Volume 6, Issue 10, pp. e921 - e921
Journal Article