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

Journal of physical chemistry. C, 2017-06, Vol.121 (21), p.11261-11272

2017

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Quasi-classical trajectory study of the dynamics of the Cl + CH4 → HCl + CH3 reaction

Physical chemistry chemical physics : PCCP, 2011-06, Vol.13 (23), p.11438-11445

2011

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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, 2004-01, Vol.120 (3), p.1231-1238

2004

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Mechanics of defects in carbon nanotubes : Atomistic and multiscale simulations

Physical review. B, Condensed matter and materials physics, 2005-03, Vol.71 (11), p.115403.1-115403.12, Article 115403

2005

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

Chemical physics letters, 2004-06, Vol.390 (4), p.413-420

2004

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Lead and lead toxicity in domestic and free living birds

Avian pathology, 2003-02, Vol.32 (1), p.3-13

2003

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Quasiclassical Trajectory Study of Energy Transfer and Collision-Induced Dissociation in Hyperthermal Ar + CH4 and Ar + CF4 Collisions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-07, Vol.109 (26), p.5814-5824

Troya, Diego

2005

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Quasiclassical Trajectory Study of the O(3P) + CH4 → OH + CH3 Reaction with a Specific Reaction Parameters Semiempirical Hamiltonian

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-04, Vol.109 (13), p.3015-3023

2005

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Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers

The Journal of chemical physics, 2004-04, Vol.120 (16), p.7696-7707

2004

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Lentigo Maligna Managed with Topical Imiquimod and Dermoscopy: Report of Two Cases

Dermatologic surgery, 2008-11, Vol.34 (11), p.1561-1566

2008

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

Chemical physics letters, 2003-11, Vol.382 (1), p.133-141

2003

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Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction

The Journal of chemical physics, 2006-02, Vol.124 (7), p.74313-74313

2006

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Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials

Inorganic chemistry, 2005-04, Vol.44 (8), p.2719-2727

2005

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Classical trajectory study of collisions of Ar with alkanethiolate self-assembled monolayers: potential-energy surface effects on dynamics

The Journal of chemical physics, 2005-06, Vol.122 (21), p.214712-214712

2005

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Experimental and Theoretical Investigations of the Inelastic and Reactive Scattering Dynamics of O( 3 P ) + D 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-02, Vol.110 (4), p.1327-1341

2006

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

The Journal of chemical physics, 2004-03, Vol.120 (11), p.5181-5191

2004

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

International reviews in physical chemistry, 2004-07, Vol.23 (3), p.341-373

2004

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L'image d'archives : Une image en devenir

2016

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Hyperthermal Reactions of O(3P) with Alkanes: Observations of Novel Reaction Pathways in Crossed-Beams and Theoretical Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-06, Vol.107 (23), p.4583-4587

2003

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Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors

Nanotechnology, 2004-11, Vol.15 (11), p.1596-1602

2004

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H + CD4 Abstraction Reaction Dynamics: Product Energy Partitioning

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (9), p.3017-3027

2006

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

The Journal of chemical physics, 2004-01, Vol.120 (2), p.731-739

2004

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Viewpoint: Hybrid Intelligence Supports Application Development for Diabetes Lifestyle Management

The Journal of artificial intelligence research, 2024-07, Vol.80, p.919-929

2024

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H + CD4 Abstraction Reaction Dynamics: Excitation Function and Angular Distributions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (2), p.677-686

2006

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

The Journal of chemical physics, 2002-09, Vol.117 (12), p.5730-5741

2002

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

Quasi-classical trajectory study of the dynamics of the Cl + CH4 → HCl + CH3 reaction

Quantum wave packet and quasiclassical trajectory studies of OH+CO: influence of the reactant channel well on thermal rate constants

Mechanics of defects in carbon nanotubes : Atomistic and multiscale simulations

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

Lead and lead toxicity in domestic and free living birds

Quasiclassical Trajectory Study of Energy Transfer and Collision-Induced Dissociation in Hyperthermal Ar + CH4 and Ar + CF4 Collisions

Quasiclassical Trajectory Study of the O(3P) + CH4 → OH + CH3 Reaction with a Specific Reaction Parameters Semiempirical Hamiltonian

Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers

Lentigo Maligna Managed with Topical Imiquimod and Dermoscopy: Report of Two Cases

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

Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction

Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials

Classical trajectory study of collisions of Ar with alkanethiolate self-assembled monolayers: potential-energy surface effects on dynamics

Experimental and Theoretical Investigations of the Inelastic and Reactive Scattering Dynamics of O( 3 P ) + D 2

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

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

L'image d'archives : Une image en devenir

Hyperthermal Reactions of O(3P) with Alkanes: Observations of Novel Reaction Pathways in Crossed-Beams and Theoretical Studies

Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors

H + CD4 Abstraction Reaction Dynamics: Product Energy Partitioning

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

Viewpoint: Hybrid Intelligence Supports Application Development for Diabetes Lifestyle Management

H + CD4 Abstraction Reaction Dynamics: Excitation Function and Angular Distributions

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

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