Bruce Garrett
Affiliations: | Modeling and Simulation | Pacific Northwest National Laboratory, Richland, WA, United States |
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Parents
Sign in to add mentor| William Hughes Miller | grad student | University of California, Berkeley and UC Medical School | |
| Donald G. Truhlar | post-doc | UMN |
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Publications
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| Mielke SL, Garrett BC, Fleming DG, et al. (2015) Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H 2 reaction Molecular Physics. 113: 160-175 |
| Bakule P, Fleming DG, Sukhorukov O, et al. (2012) State-selected reaction of muonium with vibrationally excited H 2 Journal of Physical Chemistry Letters. 3: 2755-2760 |
| Fleming DG, Arseneau DJ, Sukhorukov O, et al. (2011) Kinetics of the reaction of the heaviest hydrogen atom with H2, the 4Heμ + H2 → 4HeμH + H reaction: experiments, accurate quantal calculations, and variational transition state theory, including kinetic isotope effects for a factor of 36.1 in isotopic mass. The Journal of Chemical Physics. 135: 184310 |
| Wang D, Valiev M, Garrett BC. (2011) CH2Cl2 + OH- reaction in aqueous solution: a combined quantum mechanical and molecular mechanics study. The Journal of Physical Chemistry. A. 115: 1380-4 |
| Fleming DG, Arseneau DJ, Sukhorukov O, et al. (2011) Kinetic isotope effects for the reactions of muonic helium and muonium with H2. Science (New York, N.Y.). 331: 448-50 |
| Garrett BC, Truhlar DG. (2010) Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H(2) and H + H(2). Proceedings of the National Academy of Sciences of the United States of America. 76: 4755-9 |
| Garrett BC. (2010) ChemInform Abstract: Variational Transition State Theory Methods for Calculating Reaction Rate Constants in Gas and Condensed Phases Cheminform. 31: no-no |
| Mielke SL, Schwenke DW, Schatz GC, et al. (2009) Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3. The Journal of Physical Chemistry. A. 113: 4479-88 |
| Arseneau DJ, Fleming DG, Sukhorukov O, et al. (2009) The muonic He atom and a preliminary study of the reaction Physica B: Condensed Matter. 404: 946-949 |
| Valiev M, Garrett BC, Tsai MK, et al. (2007) Hybrid approach for free energy calculations with high-level methods: application to the SN2 reaction of CHCl3 and OH- in water. The Journal of Chemical Physics. 127: 051102 |