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Diego Troya - Publications

Affiliations: 
Chemistry Virginia Polytechnic and State University, United States 
Area:
Computational Chemistry
Website:
http://www.chem.vt.edu/people/faculty/troya-diego/

95 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Powell CR, Foster JC, Swilley SN, Kaur K, Scannelli SJ, Troya D, Matson JB. Self-Amplified Depolymerization of Oligo(thiourethanes) for the Release of COS/HS. Polymer Chemistry. 10: 2991-2995. PMID 31275434 DOI: 10.1039/C9PY00354A  0.32
2019 Tian Y, Plonka AM, Ebrahim AM, Palomino RM, Senanayake SD, Balboa A, Gordon WO, Troya D, Musaev DG, Morris JR, Mitchell MB, Collins-Wildman DL, Hill CL, Frenkel AI. A Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single Site Zr-Based Polyoxometalates. The Journal of Physical Chemistry Letters. PMID 31002759 DOI: 10.1021/acs.jpclett.9b01002  0.96
2019 Driscoll DM, Troya D, Usov PM, Maynes AJ, Morris AJ, Morris JR. Geometry and energetics of CO adsorption on hydroxylated UiO-66. Physical Chemistry Chemical Physics : Pccp. PMID 30762868 DOI: 10.1039/c8cp07778a  0.96
2018 Kaledin AL, Driscoll DM, Troya D, Collins-Wildman DL, Hill CL, Morris JR, Musaev DG. Impact of ambient gases on the mechanism of [CsNbO]-promoted nerve-agent decomposition. Chemical Science. 9: 2147-2158. PMID 29719688 DOI: 10.1039/c7sc04997h  0.96
2017 Wang Q, Chapleski RC, Plonka AM, Gordon WO, Guo W, Nguyen-Phan TD, Sharp CH, Marinkovic NS, Senanayake SD, Morris JR, Hill CL, Troya D, Frenkel AI. Atomic-Level Structural Dynamics of Polyoxoniobates during DMMP Decomposition. Scientific Reports. 7: 773. PMID 28396583 DOI: 10.1038/s41598-017-00772-x  0.96
2016 Plonka AM, Wang Q, Gordon WO, Balboa A, Troya D, Guo W, Sharp CH, Senanayake SD, Morris JR, Hill CL, Frenkel AI. In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-based Metal Organic Frameworks. Journal of the American Chemical Society. PMID 28038315 DOI: 10.1021/jacs.6b11373  0.96
2016 Radzinski SC, Foster JC, Chapleski RC, Troya D, Matson JB. Correction to "Bottlebrush Polymer Synthesis by Ring-Opening Metathesis Polymerization: The Significance of the Anchor Group". Journal of the American Chemical Society. PMID 28026171 DOI: 10.1021/jacs.6b12768  0.96
2016 Radzinski SC, Foster JC, Chapleski RC, Troya D, Matson JB. Bottlebrush Polymer Synthesis by Ring-Opening Metathesis Polymerization: The Significance of the Anchor Group. Journal of the American Chemical Society. PMID 27219866 DOI: 10.1021/jacs.5b13317  0.96
2015 Chapleski RC, Zhang Y, Troya D, Morris JR. Heterogeneous chemistry and reaction dynamics of the atmospheric oxidants, O3, NO3, and OH, on organic surfaces. Chemical Society Reviews. PMID 26555710 DOI: 10.1039/c5cs00375j  0.96
2015 Qin C, Troya D, Shang C, Hildreth S, Helm R, Xia K. Surface catalyzed oxidative oligomerization of 17β-estradiol by Fe(3+)-saturated montmorillonite. Environmental Science & Technology. 49: 956-64. PMID 25496116 DOI: 10.1021/es504815t  1
2015 Naughton EM, Zhang M, Troya D, Brewer KJ, Moore RB. Size dependent ion-exchange of large mixed-metal complexes into Nafion® membranes Polymer Chemistry. 6: 6870-6879. DOI: 10.1039/c5py00714c  1
2015 Abelard J, Wilmsmeyer AR, Edwards AC, Gordon WO, Durke EM, Karwacki CJ, Troya D, Morris JR. Adsorption of 2-chloroethyl ethyl sulfide on silica: binding mechanism and energy of a bifunctional hydrogen-bond acceptor at the gas-surface interface Journal of Physical Chemistry C. 119: 365-372. DOI: 10.1021/jp509516x  1
2014 Davis ED, Gordon WO, Wilmsmeyer AR, Troya D, Morris JR. Chemical Warfare Agent Surface Adsorption: Hydrogen Bonding of Sarin and Soman to Amorphous Silica. The Journal of Physical Chemistry Letters. 5: 1393-9. PMID 26269985 DOI: 10.1021/jz500375h  0.96
2014 Zhang Y, Chapleski RC, Lu JW, Rockhold TH, Troya D, Morris JR. Gas-surface reactions of nitrate radicals with vinyl-terminated self-assembled monolayers. Physical Chemistry Chemical Physics : Pccp. 16: 16659-70. PMID 24995705 DOI: 10.1039/c4cp01982b  1
2014 Chapleski RC, Morris JR, Troya D. A theoretical study of the ozonolysis of C60: primary ozonide formation, dissociation, and multiple ozone additions. Physical Chemistry Chemical Physics : Pccp. 16: 5977-86. PMID 24549406 DOI: 10.1039/c3cp55212h  1
2014 Davis ED, Gordon WO, Wilmsmeyer AR, Troya D, Morris JR. Chemical warfare agent surface adsorption: Hydrogen bonding of sarin and soman to amorphous silica Journal of Physical Chemistry Letters. 5: 1393-1399. DOI: 10.1021/jz500375h  1
2013 Zhang J, Yang L, Troya D. Chemical dynamics simulations of the hydroxyl radical reaction with ethene Chinese Journal of Chemical Physics. 26: 765-773. DOI: 10.1063/1674-0068/26/06/765-773  1
2013 Wilmsmeyer AR, Gordon WO, Davis ED, Troya D, Mantooth BA, Lalain TA, Morris JR. Infrared spectra and binding energies of chemical warfare nerve agent simulants on the surface of amorphous silica Journal of Physical Chemistry C. 117: 15685-15697. DOI: 10.1021/jp404265s  1
2013 Troya D, Edwards AC, Morris JR. Theoretical study of the adsorption of organophosphorous compounds to models of a silica surface Journal of Physical Chemistry C. 117: 14625-14634. DOI: 10.1021/jp404065n  1
2012 Davis ED, Wagner A, McEntee M, Kaur M, Troya D, Morris JR. Reaction Probability and Infrared Detection of the Primary Ozonide in Collisions of O3 with Surface-Bound C60. The Journal of Physical Chemistry Letters. 3: 3193-8. PMID 26296028 DOI: 10.1021/jz3012518  0.96
2012 Davis ED, Wagner A, McEntee M, Kaur M, Troya D, Morris JR. Reaction probability and infrared detection of the primary ozonide in collisions of O 3 with surface-bound C 60 Journal of Physical Chemistry Letters. 3: 3193-3198. DOI: 10.1021/jz3012518  1
2012 Lu JW, Day BS, Fiegland LR, Davis ED, Alexander WA, Troya D, Morris JR. Interfacial energy exchange and reaction dynamics in collisions of gases on model organic surfaces Progress in Surface Science. 87: 221-252. DOI: 10.1016/j.progsurf.2012.07.002  1
2012 Troya D. Dynamics of collisions of hydroxyl radicals with fluorinated self-assembled monolayers Theoretical Chemistry Accounts. 131: 1-12. DOI: 10.1007/s00214-011-1072-z  1
2011 Layfield JP, Troya D. Molecular simulations of the structure and dynamics of water confined between alkanethiol self-assembled monolayer plates. The Journal of Physical Chemistry. B. 115: 4662-70. PMID 21466175 DOI: 10.1021/jp1120178  1
2011 Greaves SJ, Rose RA, Abou-Chahine F, Glowacki DR, Troya D, Orr-Ewing AJ. Quasi-classical trajectory study of the dynamics of the Cl + CH4 → HCl + CH3 reaction Physical Chemistry Chemical Physics. 13: 11438-11445. DOI: 10.1039/c0cp02694h  1
2011 Layfield JP, Troya D. Molecular Simulations of the Structure and Dynamics of Water Confined between Alkanethiol Self-Assembled Monolayer Plates Journal of Physical Chemistry B. 115: 4662-4670. DOI: 10.1021/jp1120178  1
2011 Alexander WA, Troya D. Theoretical study of the dynamics of collisions between HCl and ω-hydroxylated alkanethiol self-assembled monolayers Journal of Physical Chemistry C. 115: 2273-2283. DOI: 10.1021/jp1106422  1
2010 Layfield JP, Troya D. Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions. The Journal of Chemical Physics. 132: 134307. PMID 20387933 DOI: 10.1063/1.3364858  1
2010 Mitroka S, Zimmeck S, Troya D, Tanko JM. How solvent modulates hydroxyl radical reactivity in hydrogen atom abstractions. Journal of the American Chemical Society. 132: 2907-13. PMID 20146469 DOI: 10.1021/ja903856t  0.01
2010 Layfield JP, Troya D. Theoretical study of the dynamics of F+alkanethiol self-assembled monolayer hydrogen-abstraction reactions Journal of Chemical Physics. 132. DOI: 10.1063/1.3364858  1
2009 Troya D, Mosch M, O'Neill KA. Ab initio and dynamics study of the O(3P) + NH3 and O(3P) + N2H4 reactions at hyperthermal collision energies. The Journal of Physical Chemistry. A. 113: 13863-70. PMID 19886614 DOI: 10.1021/jp9072747  1
2009 Layfield JP, Sweeney AF, Troya D. Direct-dynamics study of the F + CH4, C2H6, C3H8, and i-C4H10 reactions. The Journal of Physical Chemistry. A. 113: 4294-304. PMID 19296632 DOI: 10.1021/jp810929e  1
2009 Alexander WA, Morris JR, Troya D. Experimental and theoretical study of CO collisions with CH3- and CF3-terminated self-assembled monolayers. The Journal of Chemical Physics. 130: 084702. PMID 19256614 DOI: 10.1063/1.3072012  1
2009 Alexander WA, Morris JR, Troya D. Theoretical study of the stereodynamics of CO collisions with CH3- and CF3-terminated alkanethiolate self-assembled monolayers. The Journal of Physical Chemistry. A. 113: 4155-67. PMID 19206227 DOI: 10.1021/jp810557m  1
2009 Layfield JP, Sweeney AF, Troya D. Dynamics study of the F + CH4,C2H6,C3H8, and i-C4H10 reactions Journal of Physical Chemistry A. 113: 4294-4304. DOI: 10.1021/jp810929e  1
2009 Layfield JP, Troya D. Theoretical study of the dynamics of H + alkane reactions Chemical Physics Letters. 467: 243-248. DOI: 10.1016/j.cplett.2008.11.047  1
2008 Tasić U, Troya D. Theoretical study of the dynamics of hyperthermal collisions of Ar with a fluorinated alkanethiolate self-assembled monolayer Physical Chemistry Chemical Physics. 10: 5776-5786. PMID 18956114 DOI: 10.1039/b808011a  1
2008 Gibson KD, Sibener SJ, Upadhyaya HP, Brunsvold AL, Zhang J, Minton TK, Troya D. Hyperthermal Ar atom scattering from a C(0001) surface. The Journal of Chemical Physics. 128: 224708. PMID 18554044 DOI: 10.1063/1.2924126  1
2008 Layfield JP, Owens MD, Troya D. Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian. The Journal of Chemical Physics. 128: 194302. PMID 18500860 DOI: 10.1063/1.2918358  1
2008 Alexander WA, Day BS, Moore HJ, Lee TR, Morris JR, Troya D. Experimental and theoretical studies of the effect of mass on the dynamics of gas/organic-surface energy transfer. The Journal of Chemical Physics. 128: 014713. PMID 18190218 DOI: 10.1063/1.2815327  1
2008 Layfield JP, Owens MD, Troya D. Theoretical study of the dynamics of the H+C H4 and H+ C2 H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian Journal of Chemical Physics. 128. DOI: 10.1063/1.2918358  1
2008 Greaves SJ, Orr-Ewing AJ, Troya D. Classical trajectory study of the dynamics of the reaction of Cl atoms with ethane Journal of Physical Chemistry A. 112: 9387-9395. DOI: 10.1021/jp802347v  1
2008 Bennett ME, Alexander WA, Lu JW, Troya D, Morris JR. Collisions of polar and nonpolar gases with hydrogen bonding and hydrocarbon self-assembled monolayers Journal of Physical Chemistry C. 112: 17272-17280. DOI: 10.1021/jp801476f  1
2008 Alexander WA, Morris JR, Troya D. Theoretical studies of dynamics of CO scattering from organic surfaces Acs National Meeting Book of Abstracts 1
2008 Layfield JP, Troya D. Theoretical study of the H+CH4 and H+C2H6 reactions Acs National Meeting Book of Abstracts 1
2007 Tasi? U, Hein P, Troya D. Theoretical study of the dynamics of AR collisions with C2H6 and C2F6 at hyperthermal energy. The Journal of Physical Chemistry. A. 111: 3618-32. PMID 17429956 DOI: 10.1021/jp071287q  1
2007 Troya D. Barriers of hydrogen abstraction from primary, secondary, and tertiary alkane sites by O( 3P) Journal of Physical Chemistry A. 111: 10745-10753. DOI: 10.1021/jp075174i  1
2007 Greaves SJ, Kim J, Orr-Ewing AJ, Troya D. Studying 'chattering collisions' in the Cl + ethane reaction with classical trajectories Chemical Physics Letters. 441: 171-175. DOI: 10.1016/j.cplett.2007.05.010  1
2006 Alexander WA, Troya D. Theoretical study of the Ar-, Kr-, and Xe-CH4, -CF4 intermolecular potential-energy surfaces. The Journal of Physical Chemistry. A. 110: 10834-43. PMID 16970379 DOI: 10.1021/jp063398f  1
2006 Hu W, Lendvay G, Troya D, Schatz GC, Camden JP, Bechtel HA, Brown DJ, Martin MR, Zare RN. H + CD4 abstraction reaction dynamics: product energy partitioning. The Journal of Physical Chemistry. A. 110: 3017-27. PMID 16509623 DOI: 10.1021/jp055017o  1
2006 Garton DJ, Brunsvold AL, Minton TK, Troya D, Maiti B, Schatz GC. Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O( 3P) + D 2 Journal of Physical Chemistry A. 110: 1327-1341. PMID 16435793 DOI: 10.1021/jp054053k  1
2006 Day BS, Morris JR, Alexander WA, Troya D. Theoretical study of the effect of surface density on the dynamics of Ar + alkanethiolate self-assembled monolayer collisions. The Journal of Physical Chemistry. A. 110: 1319-26. PMID 16435792 DOI: 10.1021/jp054043j  1
2006 Camden JP, Hu W, Bechtel HA, Brown DJ, Martin MR, Zare RN, Lendvay G, Troya D, Schatz GC. H + CD4 abstraction reaction dynamics: excitation function and angular distributions. The Journal of Physical Chemistry. A. 110: 677-86. PMID 16405340 DOI: 10.1021/jp053827u  1
2006 Troya D, Weiss PJE. Ab initio and direct quasiclassical-trajectory study of the Cl+CH 4 → HCl+CH 3 reaction Journal of Chemical Physics. 124. DOI: 10.1063/1.2171689  1
2005 Camden JP, Bechtel HA, Ankeny Brown DJ, Martin MR, Zare RN, Hu W, Lendvay G, Troya D, Schatz GC. A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD. Journal of the American Chemical Society. 127: 11898-9. PMID 16117502 DOI: 10.1021/ja052684m  1
2005 Scott Day B, Morris JR, Troya D. Classical trajectory study of collisions of Ar with alkanethiolate self-assembled monolayers: potential-energy surface effects on dynamics. The Journal of Chemical Physics. 122: 214712. PMID 15974767 DOI: 10.1063/1.1924543  1
2005 Zhang S, Mielke SL, Khare R, Troya D, Ruoff RS, Schatz GC, Belytschko T. Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.115403  1
2005 Troya D. Ab initio and direct quasiclassical-trajectory study of the F+CH 4 → HF + CH 3 reaction Journal of Chemical Physics. 123. DOI: 10.1063/1.2126972  1
2005 Troya D. Quasiclassical trajectory study of energy transfer and collision-induced dissociation in hyperthermal Ar + CH 4 and Ar + CF 4 collisions Journal of Physical Chemistry A. 109: 5814-5824. DOI: 10.1021/jp051808e  1
2005 Troya D, García-Molina E. Quasiclassical trajectory study of the O( 3P) + CH 4 → OH + CH 3 reaction with a specific reaction parameters semiempirical hamiltonian Journal of Physical Chemistry A. 109: 3015-3023. DOI: 10.1021/jp044304+  1
2005 Camden JP, Bechtel HA, Brown DJA, Martin MR, Zare RN, Hu W, Lendvay G, Troya D, Schatz GC. A reinterpretation of the mechanism of the simplest reaction at an sp 3-hybridized carbon atom: H + CD4 → CD3 + HD Journal of the American Chemical Society. 127: 11898-11899. DOI: 10.1021/ja052684m  1
2005 Fan J, Slebodnick C, Troya D, Angel R, Hanson BE. Five new zinc phosphite structures: Tertiary building blocks in the construction of hybrid materials Inorganic Chemistry. 44: 2719-2727. DOI: 10.1021/ic048204u  1
2005 Tomczak SJ, Marchant D, Svejda S, Minton TK, Brunsvold AL, Gouzman I, Grossman E, Schatz GC, Troya D, Sun L, Gonzalez RI. Properties and improved space survivability of POSS (polyhedral oligomeric silsesquioxane) polyimides Materials Research Society Symposium Proceedings. 851: 395-406.  1
2004 Brunsvold AL, Garton DJ, Minton TK, Troya D, Schatz GC. Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane. The Journal of Chemical Physics. 121: 11702-14. PMID 15634136 DOI: 10.1063/1.1815271  1
2004 Medvedev DM, Gray SK, Goldfield EM, Lakin MJ, Troya D, Schatz GC. Quantum wave packet and quasiclassical trajectory studies of OH+CO: influence of the reactant channel well on thermal rate constants. The Journal of Chemical Physics. 120: 1231-8. PMID 15268248 DOI: 10.1063/1.1632901  1
2004 Troya D, Schatz GC, Garton DJ, Brunsvold AL, Minton TK. Crossed beams and theoretical studies of the O(3P)+CH4-->H+OCH3 reaction excitation function. The Journal of Chemical Physics. 120: 731-9. PMID 15267908 DOI: 10.1063/1.1631254  1
2004 Troya D, Schatz GC. Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers. The Journal of Chemical Physics. 120: 7696-707. PMID 15267681 DOI: 10.1063/1.1688312  1
2004 Chung J, Lee KH, Lee J, Troya D, Schatz GC. Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors Nanotechnology. 15: 1596-1602. DOI: 10.1088/0957-4484/15/11/038  1
2004 Troya D, Schatz GC. Hyperthermal chemistry in the gas phase and on surfaces: Theoretical studies International Reviews in Physical Chemistry. 23: 341-373. DOI: 10.1080/0144235042000298484  1
2004 Brunsvold AL, Garton DJ, Minton TK, Troya D, Schatz GC. Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane Journal of Chemical Physics. 121: 11702-11714. DOI: 10.1063/1.1815271  1
2004 Troya D, Schatz GC. Theoretical studies of hyperthermal O( 3P) collisions with hydrocarbon self-assembled monolayers Journal of Chemical Physics. 120: 7696-7707. DOI: 10.1063/1.1688312  1
2004 Troya D, Millán J, Baños I, González M. Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4→+HF+CH 3 reaction Journal of Chemical Physics. 120: 5181-5191. DOI: 10.1063/1.1637035  1
2004 Medvedev DM, Gray SK, Goldfield EM, Lakin MJ, Troya D, Schatz GC. Quantum wave packet and quasiclassical trajectory studies of OH+CO: Influence of the reactant channel well on thermal rate constants Journal of Chemical Physics. 120: 1231-1238. DOI: 10.1063/1.1632901  1
2004 Troya D, Schatz GC, Garton DJ, Brunsvold AL, Minton TK. Crossed beams and theoretical studies of the O(3P)+CH4→H+OCH3 reaction excitation function Journal of Chemical Physics. 120: 731-739. DOI: 10.1063/1.1631254  1
2004 Sierra JD, Enríquez PA, Troya D, González M. A QCT study of the cross-section, energy and angular distributions of the OH + D 2 → HOD + D reaction at E T = 0.28 eV on the YZCL2 surface Chemical Physics Letters. 399: 527-533. DOI: 10.1016/j.cplett.2004.10.013  1
2004 Mielke SL, Troya D, Zhang S, Li JL, Xiao S, Car R, Ruoff RS, Schatz GC, Belytschko T. The role of vacancy defects and holes in the fracture of carbon nanotubes Chemical Physics Letters. 390: 413-420. DOI: 10.1016/j.cplett.2004.04.054  1
2004 Troya D, Schatz GC. Theoretical studies of the O2 + methane, ethane and propane reactions Acs National Meeting Book of Abstracts. 228: PHYS-154.  1
2003 Lakin MJ, Troya D, Schatz GC, Harding LB. A quasiclassical trajectory study of the reaction OH+CO→H+CO 2 Journal of Chemical Physics. 119: 5848-5859. DOI: 10.1063/1.1602061  1
2003 Garton DJ, Minton TK, Maiti B, Troya D, Schatz GC. A crossed molecular beams study of the O(3P)+H2 reaction: Comparison of excitation function with accurate quantum reactive scattering calculations Journal of Chemical Physics. 118: 1585-1588. DOI: 10.1063/1.1539043  1
2003 Troya D, Pascual RZ, Garton DJ, Minton TK, Schatz GC. Theoretical studies of the O(3P) + ethane reaction Journal of Physical Chemistry A. 107: 7161-7169. DOI: 10.1021/jp034028j  1
2003 Troya D, Pascual RZ, Schatz GC. Theoretical studies of the O(3P) + methane reaction Journal of Physical Chemistry A. 107: 10497-10506. DOI: 10.1021/jp034027r  1
2003 Garton DJ, Minton TK, Troya D, Pascual R, Schatz GC. Hyperthermal reactions of O(3P) with alkanes: Observations of novel reaction pathways in crossed-beams and theoretical studies Journal of Physical Chemistry A. 107: 4583-4587. DOI: 10.1021/jp0226026  1
2003 Troya D, Mielke SL, Schatz GC. Carbon nanotube fracture - Differences between quantum mechanical mechanisms and those of empirical potentials Chemical Physics Letters. 382: 133-141. DOI: 10.1016/j.cplett.2003.10.068  1
2003 Minton TK, Garton DJ, Troya D, Maiti B, Pascual R, Schatz GC. Model atomic oxygen reactions: Detailed experimental and theoretical studies of the reactions of ground-state O(3P) with H2, CH4, CH3CH3, and CH3CH 2CH3 at hyperthermal collision energies European Space Agency, (Special Publication) Esa Sp. 129-136.  1
2003 Troya D, Schatz GC. A QM/MM model for hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers European Space Agency, (Special Publication) Esa Sp. 121-128.  1
2002 Troya D, Millán J, Baños I, González M. Ab initio, kinetics, and dynamics study of Cl+CH4→HCl+CH3 Journal of Chemical Physics. 117: 5730-5741. DOI: 10.1063/1.1497681  1
2002 Troya D, Lakin MJ, Schatz GC, Harding LB, González M. Quasiclassical trajectory study of energy and angular distributions for the H + CO2 → OH + CO reaction Journal of Physical Chemistry B. 106: 8148-8160. DOI: 10.1021/jp0256950  1
2002 Pascual RZ, Schatz GC, Lendvay G, Troya D. Quasiclassical trajectory and transition state theory studies of the N(4S) + H2 ↔ NH(X3Σ-) + H reaction Journal of Physical Chemistry A. 106: 4125-4136. DOI: 10.1021/jp0133079  1
2001 Lakin MJ, Troya D, Lendvay G, González M, Schatz GC. A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction Journal of Chemical Physics. 115: 5160-5169. DOI: 10.1063/1.1394218  1
2001 Troya D, Lakin MJ, Schatz GC, González M. Variational transition state theory and quasiclassical trajectory studies of the H2+OH→H+H2O reaction and some isotopic variants Journal of Chemical Physics. 115: 1828-1842. DOI: 10.1063/1.1382646  1
2001 Troya D, González M, Schatz GC. A quasiclassical trajectory study of reactivity and product energy disposal in H+H2O, H+D2O, and H+HOD Journal of Chemical Physics. 114: 8397-8413. DOI: 10.1063/1.1366334  1
2001 Troya D, Lendvay G, González M, Schatz GC. A quasiclassical trajectory study of angular and internal state distributions in H+H2O and H+D2O at ET=1.4 eV Chemical Physics Letters. 343: 420-428. DOI: 10.1016/S0009-2614(01)00697-2  1
2001 Troya D, González M, Wu G, Schatz GC. A quasiclassical trajectory study of the Cl + HCN → HCl + CN reaction dynamics. Microscopic reaction mechanism of the H(Cl) + HCN → H2(HCl) + CN reactions Journal of Physical Chemistry A. 105: 2285-2297.  1
2000 Troya D, Baños I, González M, Wu G, Ter Horst MA, Schatz GC. A quasiclassical trajectory study of the H+HCN→H2+CN reaction dynamics Journal of Chemical Physics. 113: 6253-6263.  1
1999 González M, Troya D, Puyuelo MP, Sayós R, Enríquez PA. The dynamics of the O(1D)+N2O→NO+NO reaction revisited: A QCT study on model potential energy surfaces Chemical Physics Letters. 300: 603-612.  1
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