Diego Troya

发表

Benzene, Toluene, and Xylene Transport through UiO-66: Diffusion Rates, Energetics, and the Role of Hydrogen Bonding

Pavel M. Usov, Tyler G. Grissom, Amanda J. Morris, 2018, The Journal of Physical Chemistry C.

The role of vacancy defects and holes in the fracture of carbon nanotubes

T. Belytschko, R. Ruoff, R. Car, 2004 .

Carbon nanotube fracture - differences between quantum mechanical mechanisms and those of empirical potentials

G. Schatz, S. L. Mielke, D. Troya, 2003 .

Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations

Ted Belytschko, George C. Schatz, Sulin Zhang, 2005 .

Semiconducting and Metallic [5,5] Fullertube Nanowires: Characterization of Pristine D5h(1)-C90 and D5d(1)-C100.

N. Shanaiah, Xu Feng, R. Bodnar, 2021, Journal of the American Chemical Society.

Computational and Spectroscopic Structural Determination of Lithiated Benzylic Nitriles in THF/HMPA Solution

P. Carlier, A. Esker, D. Troya, 2008 .

Mechanism and Kinetics for Reaction of the Chemical Warfare Agent Simulant, DMMP(g), with Zirconium(IV) MOFs: An Ultrahigh-Vacuum and DFT Study

A. Frenkel, John R. Morris, C. Hill, 2017 .

In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks.

A. Frenkel, S. Senanayake, C. Hill, 2017, Journal of the American Chemical Society.

Atomic resolution tracking of nerve-agent simulant decomposition and host metal–organic framework response in real space

A. Frenkel, P. Juhás, A. Plonka, 2021, Communications Chemistry.

Size dependent ion-exchange of large mixed-metal complexes into Nafion® membranes

Robert B. Moore, D. Troya, K. Brewer, 2015 .

Multimodal Characterization of Materials and Decontamination Processes for Chemical Warfare Protection.

A. Frenkel, John R. Morris, S. Senanayake, 2019, ACS applied materials & interfaces.

Reaction Mechanism of Nerve-Agent Decomposition with Zr-Based Metal Organic Frameworks

D. Troya, Diego Troya, 2016 .

Molecular-Level Insight into CO2 Adsorption on the Zirconium-Based Metal–Organic Framework, UiO-66: A Combined Spectroscopic and Computational Approach

Tyler G. Grissom, A. Morris, P. Usov, 2019, The Journal of Physical Chemistry C.

Aqueous-Phase Destruction of Nerve-Agent Simulants at Copper Single Atoms in UiO-66.

A. Karim, A. Morris, D. Troya, 2022, Inorganic chemistry.

Metal-Organic Framework- and Polyoxometalate-Based Sorbents for the Uptake and Destruction of Chemical Warfare Agents.

Tyler G. Grissom, A. Frenkel, D. Musaev, 2020, ACS applied materials & interfaces.

Alex Balboa, A. Frenkel, S. Senanayake, 2019, The journal of physical chemistry letters.

Key mechanistic details of paraoxon decomposition by polyoxometalates: Critical role of para-nitro substitution

A. Frenkel, John R. Morris, D. Musaev, 2019, Chemical Physics.

Atomic-Level Structural Dynamics of Polyoxoniobates during DMMP Decomposition

A. Frenkel, John R. Morris, S. Senanayake, 2017, Scientific Reports.

Reaction Mechanism of Nerve-Agent Hydrolysis with the Cs8Nb6O19 Lindqvist Hexaniobate Catalyst

D. Musaev, C. Hill, D. Troya, 2016 .

Infrared Spectra and Binding Energies of Chemical Warfare Nerve Agent Simulants on the Surface of Amorphous Silica

Teri Lalain, Brent A. Mantooth, Wesley O. Gordon, 2013 .

Theoretical Study of the Adsorption of Organophosphorous Compounds to Models of a Silica Surface

D. Troya, A. Edwards, J. R. Morris, 2013 .

Bottlebrush Polymer Synthesis by Ring-Opening Metathesis Polymerization: The Significance of the Anchor Group.

John B. Matson, D. Troya, Scott C. Radzinski, 2016, Journal of the American Chemical Society.

Influence of the Norbornene Anchor Group in Ru-Mediated Ring-Opening Metathesis Polymerization: Synthesis of Linear Polymers

John B. Matson, D. Troya, Samantha J. Scannelli, 2023, Macromolecules.

Catalytic CO Oxidation by Cu Single Atoms on the UiO-66 Metal–Organic Framework: The Role of the Oxidation State

A. Karim, A. Morris, D. Troya, 2022, The Journal of Physical Chemistry C.

Geometry and energetics of CO adsorption on hydroxylated UiO-66.

A. Morris, P. Usov, D. Troya, 2019, Physical chemistry chemical physics : PCCP.

Surface catalyzed oxidative oligomerization of 17β-estradiol by Fe(3+)-saturated montmorillonite.

R. Helm, C. Shang, K. Xia, 2015, Environmental science & technology.

Quasiclassical trajectory study of the O(3P) + CH4 --> OH + CH3 reaction with a specific reaction parameters semiempirical Hamiltonian.

D. Troya, Elena García-Molina, Diego Troya, 2005, The journal of physical chemistry. A.

Ab initio, kinetics, and dynamics study of Cl+CH4→HCl+CH3

Miguel González, J. Millán, Miguel A González, 2002 .

Insights into CO2 adsorption and chemical fixation properties of VPI-100 metal–organic frameworks

Jie Zhu, S. Senanayake, Shao-En Lin, 2018 .

Impact of ambient gases on the mechanism of [Cs8Nb6O19]-promoted nerve-agent decomposition

D. Musaev, C. Hill, A. Kaledin, 2018, Chemical science.

Chemical Warfare Agent Surface Adsorption: Hydrogen Bonding of Sarin and Soman to Amorphous Silica.

W. Gordon, Amanda R. Wilmsmeyer, Erin Durke Davis, 2014, Journal of Physical Chemistry Letters.

Heterogeneous chemistry and reaction dynamics of the atmospheric oxidants, O3, NO3, and OH, on organic surfaces.

D. Troya, Yafen Zhang, Robert C. Chapleski, 2016, Chemical Society reviews.

Interfacial energy exchange and reaction dynamics in collisions of gases on model organic surfaces

D. Troya, Erin Durke Davis, B. S. Day, 2012 .

Dynamics of collisions of hydroxyl radicals with fluorinated self-assembled monolayers

Diego Troya, 2012, Theoretical Chemistry Accounts.

Experimental and theoretical study of CO collisions with CH3- and CF3-terminated self-assembled monolayers.

D. Troya, W. Alexander, J. R. Morris, 2009, The Journal of chemical physics.

Collisions of Polar and Nonpolar Gases with Hydrogen Bonding and Hydrocarbon Self-Assembled Monolayers

D. Troya, W. Alexander, M. Bennett, 2008 .

Theoretical study of the Ar-, Kr-, and Xe-CH4, -CF4 intermolecular potential-energy surfaces.

W. Alexander, Diego Troya, 2006, The journal of physical chemistry. A.

Theoretical study of the effect of surface density on the dynamics of Ar + alkanethiolate self-assembled monolayer collisions.

B. S. Day, W. Alexander, J. R. Morris, 2006, The journal of physical chemistry. A.

Hyperthermal Ar atom scattering from a C(0001) surface.

Amy Brunsvold, S. Sibener, K. Gibson, 2008, The Journal of chemical physics.

Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors

George C. Schatz, Jae Hyun Chung, G. Schatz, 2004 .

Ab initio and direct quasiclassical-trajectory study of the F+CH4-->HF+CH3 reaction.

D. Troya, Diego Troya, 2005, The Journal of chemical physics.

Gas-surface reactions of nitrate radicals with vinyl-terminated self-assembled monolayers.

D. Troya, Yafen Zhang, Robert C. Chapleski, 2014, Physical chemistry chemical physics : PCCP.

Hyperthermal chemistry in the gas phase and on surfaces: Theoretical studies

G. Schatz, D. Troya, Diego Troya, 2004 .

Systematic investigation of the excited-state properties of anthracene-dicarboxylic acids

A. Morris, D. Troya, Robert C. Chapleski, 2017 .

How solvent modulates hydroxyl radical reactivity in hydrogen atom abstractions.

D. Troya, J. Tanko, Susan M. Mitroka, 2010, Journal of the American Chemical Society.

Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4-->HF+CH3 reaction.

J. Millán, Miguel A González, D. Troya, 2004, The Journal of chemical physics.

The dynamics of the O(1D)+N2O→NO+NO reaction revisited: a QCT study on model potential energy surfaces

R. Sayós, Miguel A González, D. Troya, 1999 .

Multichannel dynamics in the OH+ n-butane reaction revealed by crossed-beam slice imaging and quasiclassical trajectory calculations.

A. Suits, D. Troya, Hongwei Li, 2020, The Journal of chemical physics.

Reaction Probability and Infrared Detection of the Primary Ozonide in Collisions of O3 with Surface-Bound C60.

D. Troya, Erin Durke Davis, M. Kaur, 2012, The journal of physical chemistry letters.

Theoretical study of the dynamics of H + alkane reactions

D. Troya, Joshua P Layfield, Diego Troya, 2009 .

Studying ‘chattering collisions’ in the Cl + ethane reaction with classical trajectories

A. Orr-Ewing, D. Troya, S. J. Greaves, 2007 .

Conformational Analysis of n→π* Interactions in Collagen Triple Helix Models.

D. Troya, F. Etzkorn, Rachel I Ware, 2018, The journal of physical chemistry. B.

A theoretical study of the ozonolysis of C60: primary ozonide formation, dissociation, and multiple ozone additions.

D. Troya, Robert C. Chapleski, J. R. Morris, 2014, Physical chemistry chemical physics : PCCP.

Variational transition state theory and quasiclassical trajectory studies of the H2+OH→H+H2O reaction and some isotopic variants

George C. Schatz, Miguel González, G. Schatz, 2001 .

A quasiclassical trajectory study of reactivity and product energy disposal in H+H2O, H+D2O, and H+HOD

G. Schatz, Miguel A González, D. Troya, 2001 .

Unraveling the CO Oxidation Mechanism over Highly Dispersed Pt Single Atom on Anatase TiO2 (101)

Abhijit Shrotri, Md Raian Yousuf, Celine Tesvara, 2024, ACS Catalysis.

Conformational Analysis of Fluoro-, Chloro-, and Proteo-Alkene Gly-Pro and Pro-Pro Isosteres to Mimic Collagen.

F. Etzkorn, Rachel I Ware, Diego Troya, 2021, The journal of physical chemistry. B.

Prolonged Association between Water Molecules under Hydrophobic Nanoconfinement.

L. Madsen, Rui Zhang, D. Troya, 2021, The journal of physical chemistry. B.

Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3p) + D2.

Amy Brunsvold, G. Schatz, B. Maiti, 2006, The journal of physical chemistry. A.

Crossed beams and theoretical studies of the O(3P)+CH4-->H+OCH3 reaction excitation function.

Amy Brunsvold, G. Schatz, T. Minton, 2004, The Journal of chemical physics.

Ring-opening metathesis polymerization of norbornene–benzoladderene (macro)monomers

John B. Matson, Samantha J. Scannelli, Mohammed Alaboalirat, 2023, Polymer Chemistry.

Ab Initio and Quasiclassical Trajectory Study of the O(3P)+2-Propanol Hydrogen Abstraction Reaction.

D. Troya, Diego Troya, 2019, The journal of physical chemistry. A.

H + CD4 abstraction reaction dynamics: product energy partitioning.

H. Bechtel, R. Zare, G. Lendvay, 2006, The journal of physical chemistry. A.

H + CD4 abstraction reaction dynamics: excitation function and angular distributions.

H. Bechtel, R. Zare, G. Lendvay, 2006, The journal of physical chemistry. A.

A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD.

H. Bechtel, R. Zare, G. Lendvay, 2005, Journal of the American Chemical Society.

Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane.

Amy Brunsvold, G. Schatz, T. Minton, 2004, The Journal of chemical physics.