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- A detailed product distribution analysis of some potential energy surfaces describing the OH+CO→H+CO <inf>2</inf> reaction
- A five-dimensional quantum dynamics study of the F (<sup>2</sup>P) +C H<inf>4</inf> reaction
- A new synthesis of 6-oxopyrimidinium-4-olates. Theoretical study of the regioselective cycloaddition of arylisocyanates with A 1,3-thiazolium-4-olate system
- A proposal for avoiding overestimation in the counterpoise basis set superposition error. Application to diatomic van der Waals systems
- A qct study of the role of the symmetric and antisymmetric stretch mode excitations of methane in the o(3p) + ch4 (vi = 0, 1; i = 1, 3) reaction
- A quasi-classical trajectory study of the product energy partition and rovibrational distribution for the H + CD<inf>4</inf> reaction
- Ab initio and variational transition-state theory study of the CF<inf>3</inf>CF<inf>2</inf>OCH<inf>3</inf> + OH reaction using integrated methods: Mechanism and kinetics
- Ab initio based potential energy surface and kinetics study of the OH + NH<inf>3</inf> hydrogen abstraction reaction
- Ab initio evaluation of the barrier height. Theoretical rate constant of the NH<inf>3</inf> + H → NH<inf>2</inf> + H<inf>2</inf> reaction
- Ab initio study of the structures and thermodynamic properties of some gem-disubstituted propyl radicals. The effects of ethyl groups on the stabilization energies of these disubstituted radicals
- Absolute and relative-rate kinetics experiments and direct dynamics computations for the reaction of Br atoms with CH<inf>2</inf>ClBr
- Analysis of certain factors in the direct dynamics method: Variational rate constant of the NH<inf>3</inf>+OH→NH<inf>2</inf>+H<inf>2</inf>O reaction
- Analytical potential energy surface for the CH<inf>4</inf> + O(<sup>3</sup>P) → CH<inf>3</inf> + OH reaction. Thermal rate constants and kinetic isotope effects
- Analytical potential energy surface describing abstraction reactions in asymmetrically substituted polyatomic systems of type CX<inf>3</inf>y + A→ products
- Analytical potential energy surface and kinetics of the NH<inf>3</inf> + H -NH<inf>2</inf> + H<inf>2</inf> hydrogen abstraction and the ammonia inversion reactions
- Analytical potential energy surface for the GeH<inf>4</inf>+H→GeH<inf>3</inf>+H<inf>2</inf> reaction: Thermal and vibrational-state selected rate constants and kinetic isotope effects
- Analytical potential energy surface for the CH<inf>4</inf>+Cl→CH<inf>3</inf>+CIH reaction: Application of the variational transition state theory and analysis of the kinetic isotope effects
- Analytical potential energy surface for the reaction with intermediate complexes NH <inf>3</inf> + Cl → NH <inf>2</inf> + HCl: Application to the kinetics study
- Analytical potential energy surface for the NH<inf>3</inf>+H↔NH<inf>2</inf>+H<inf>2</inf> reaction: Application of variational transition-state theory and analysis of the equilibrium constants and kinetic isotope effects using curvilinear and rectilinear coordinates
- Analytical potential energy surface and dynamics for the OH + CH<inf>3</inf>OH reaction
- Analytical surface for the reaction with no saddle-point NH<inf>3</inf> + F → NH<inf>2</inf> + FH. Application of variational transition state theory
- Basis set superposition effects in electronic Populations Calculated on Hydrogen Bonded Systems
- Bond and mode selectivity in the OH + NH<inf>2</inf>D reaction: A quasi-classical trajectory calculation
- CO<inf>2</inf> Vibrational State Distributions from Quasi-Classical Trajectory Studies of the HO + CO → H + CO<inf>2</inf> Reaction and H + CO<inf>2</inf> Inelastic Collision
- Capability of LEP-type surfaces to describe noncollinear reactions. 2. Polyatomic systems
- Capability of LEPS surfaces to describe the kinetics and dynamics of non-collinear reactions
- Científicos, investigaciones y opiniones
- Classical description in a quantum spirit of the prototype four-atom reaction OH + D<inf>2</inf>
- Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH + D<inf>2</inf>: Checking the validity of the QCT method
- Comment on correlated Dynamics of the O(<sup>3</sup>P) + CHD<inf>3</inf>(v =0) Reaction: A Joint Crossed-Beam and Quasiclassical Trajectory Study
- Complexes and saddle point structures, vibrational frequencies and relative energies of intermediates for CH<inf>2</inf>Br + HBr ⇔ CH<inf>3</inf>Br + Br
- Computational chemistry of polyatomic reaction kinetics and dynamics: The quest for an accurate CH<inf>5</inf> potential energy surface
- Constructing potential energy surfaces for polyatomic systems: Recent progress and new problems
- Current Status of the X + C2H6 [X ≡ H, F(<sup>2</sup>P), Cl(<sup>2</sup>P), O(<sup>3</sup>P), OH] Hydrogen Abstraction Reactions: A Theoretical Review
- Dual-level direct dynamics calculations of the reaction rates for a jahn-teller reaction: Hydrogen abstraction from CH<inf>4</inf> or CD<inf>4</inf> by O(<sup>3</sup>P)
- Dual-level reaction-path dynamics (the III approach to VTST with semiclassical tunneling). Application to OH + NH<inf>3</inf> → H<inf>2</inf>O + NH<inf>2</inf>
- Dynamics of the O(<sup>3</sup>P) + CH<inf>4</inf> hydrogen abstraction reaction at hyperthermal collision energies
- Dynamics study of the OH + NH<inf>3</inf> hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface
- Elementos de termoquímica teórica: elaboración y aplicaciones de una tabla de energías de enlace medias
- Erratum: QCT and QM calculations of the Cl( <sup>2</sup>P) + NH <inf>3</inf> reaction: Influence of the reactant well on the dynamics (Physical Chemistry Chemical Physics (2012) 14 (4824-4834) DOI: 10.1039/c2cp00008c)
- Erratum: Theoretical study of intermediate complexes and the saddle point for NH<inf>3</inf> + OH → NH<sup>2</sup> + H<inf>2</inf>O (Journal of Physical Chemistry (1993) 97, (9130))
- Estudio bibliométrico de la literatura científica sobre actitud hacia la ciencia (1965-1995)
- F(<sup>2</sup>P) + C<inf>2</inf>H<inf>6</inf> → HF + C<inf>2</inf>H<inf>5</inf> kinetics study based on a new analytical potential energy surface
- Final state-resolved mode specificity in HX + OH → X + H<inf>2</inf>O (X = F and Cl) reactions: A quasi-classical trajectory study
- Full-dimensional analytical potential energy surface describing the gas-phase Cl + C<inf>2</inf>H<inf>6</inf> reaction and kinetics study of rate constants and kinetic isotope effects
- Full-dimensional potential energy surface for the H + CH<inf>3</inf>OH reaction. Theoretical kinetics and dynamics study
- Global potential energy surface and dynamics for the OH + CH3OH reaction
- Global potential energy surface and product pair-correlated distributions for the F(<sup>2</sup>P) + SiH<inf>4</inf>reaction-comparison with experiments
- Importance of quantum effects for C-H bond activation reactions
- Intermediate complexes and activation energy for the Cl(<sup>2</sup>P) + SiH<inf>4</inf> hydrogen abstraction reaction: a difficult case
- Interpolated algorithm for large-curvature tunneling calculations of transmission coefficients for variational transition state theory calculations of reaction rates
- Isotope effects on the dynamics properties and reaction mechanism in the CL(<sup>2</sup>P) + NH<inf>3</inf> reaction: A QCT and QM study
- Kinetic study of the CN + C<inf>2</inf>H<inf>6</inf> hydrogen abstraction reaction based on an analytical potential energy surface
- Kinetics and dynamics study of the H + CCl<inf>4</inf> → HCl(v′, j′) + CCl<inf>3</inf> reaction
- Kinetics and dynamics of the NH<inf>3</inf> H → NH<inf>2</inf> H <inf>2</inf> reaction using transition state methods, quasi-classical trajectories, and quantum-mechanical scattering
- Kinetics and dynamics study of the OH + C<inf>2</inf>H<inf>6</inf>→ H<inf>2</inf>O + C<inf>2</inf>H<inf>5</inf>reaction based on an analytical global potential energy surface
- Kinetics and dynamics study of the Cl(<sup>2</sup>P) + CH<inf>3</inf>OH reaction based on an analytical potential energy surface
- Kinetics study of the CN + CH<inf>4</inf> hydrogen abstraction reaction based on a new: Ab initio analytical full-dimensional potential energy surface
- Kinetics study of the OH + SiH<inf>4</inf> hydrogen abstraction reaction: A theoretical analysis
- Kinetics theoretical study of the O(<sup>3</sup>P) + C<inf>2</inf>H<inf>6</inf> reaction on an ab initio-based global potential energy surface
- La investigación desde la Enseñanza Secundaria
- Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory
- Münchnone-alkene cycloadditions: Deviations from the FMO theory. Theoretical studies in the search of the transition state
- New analytical potential energy surface for the CH<inf>4</inf>+H hydrogen abstraction reaction: Thermal rate constants and kinetic isotope effects
- New analytical potential energy surface for the F(<sup>2</sup>P) + CH <inf>4</inf> hydrogen abstraction reaction: Kinetics and dynamics
- New hybrid method for reactive systems from integrating molecular orbital or molecular mechanics methods with analytical potential energy surfaces
- New theoretical value of the enthalpy of formation of the OOH radical
- New theoretical value of the enthalpy of formation of the CH<inf>2</inf>OH radical
- On the accuracy of an analytical potential energy surface for the CH <inf>4</inf> + Cl reaction and the quasi-classical trajectory calculations for thermal rate constants
- On the energy-dependence of the excitation functions of the H+CH<inf>4</inf> and H+CD<inf>4</inf> reactions
- Pair-correlated speed distributions for the OH+CH<inf>4</inf>/CD<inf>4</inf> reactions: Further remarks on their classical trajectory calculations in a quantum spirit
- Polyatomic systems. The quest for potential energy surfaces
- PotLib 2023: New version of a potential energy surface library for chemical systems
- Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH<inf>4</inf>→HCl+CH<inf>3</inf>
- Potential energy surface, kinetics, and dynamics study of the Cl+C H <inf>4</inf> →hCl+C H<inf>3</inf> reaction
- Potential energy surface for the CH<inf>3</inf>+HBr→CH<inf>4</inf>+Br hydrogen abstraction reaction: Thermal and state-selected rate constants, and kinetic isotope effects
- Potential energy surface for a seven-atom reaction. Thermal rate constants and kinetic isotope effects for CH<inf>4</inf>+OH
- Potential energy surface for the F(<sup>2</sup>P<inf>3/2</inf>, <sup>2</sup>P<inf>1/2</inf>) + CH<inf>4</inf> hydrogen abstraction reaction. kinetics and dynamics study
- Potential energy surface for asymmetrically substituted reactions of type CWXYZ + A. kinetics study
- Potential energy surface for the CCl <inf>4</inf>+H→ CCl <inf>3</inf>+ClH reaction: Kinetics and dynamics study
- Product Translational and Vibrational Distributions for the OH/OD + CH<inf>4</inf>/CD<inf>4</inf> Reactions from Quasiclassical Trajectory Calculations. Comparison with Experiment
- Product angular distribution for the H + CD<inf>4</inf> → HD + CD <inf>3</inf> reaction
- Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations
- QCT and QM calculations of the Cl(<sup>2</sup>P) + NH<inf>3</inf> reaction: Influence of the reactant well on the dynamics
- QCT dynamics study of the reaction of hydroxyl radical and methane using a new ab initio fitted full-dimensional analytical potential energy surface
- QCT dynamics study of OH/OD + GeH<inf>4</inf> reactions. the problem of water bending excitation
- QCT study of the vibrational and translational role in the H + C<inf>2</inf>H<inf>6</inf>(ν <inf>1</inf>, ν <inf>2</inf>, ν <inf>5</inf>, ν <inf>7</inf>, ν <inf>9</inf> and ν <inf>10</inf>) reactions
- Quasi-Classical Trajectory Dynamics Study of the Cl(<sup>2</sup>P) + C<inf>2</inf>H<inf>6</inf> → HCl(v,j) + C<inf>2</inf>H<inf>5</inf> Reaction. Comparison with Experiment
- Quasi-classical trajectory study of the water vibrational distribution for the polyatomic OH/OD + NH<inf>3</inf> reactions: Comparison with experiment
- Quasi-classical trajectory study of the vibrational and translational effects on the O(<sup>3</sup>P) + CD<inf>4</inf> reaction
- Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type a + CX<inf>3</inf>Y → products: The H + CH<inf>3</inf>Cl hydrogen abstraction reaction channel
- Quasi-classical trajectory calculations of the hydrogen abstraction reaction H + NH<inf>3</inf>
- Quasi-classical trajectory study of the F + CD<inf>4</inf> reaction dynamics
- Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl( <sup>2</sup>P) + NH <inf>3</inf> reaction
- Quasi-classical trajectory study of the hydrogen abstraction F + CHD<inf>3</inf> reaction: A state-to-state dynamics analysis
- Quasi-classical trajectory calculations analyzing the dynamics of the C-H stretch mode excitation in the H + CHD<inf>3</inf> reaction
- Quasi-classical trajectory calculations analyzing the role of bending mode excitations of methane in the Cl + CH<inf>4</inf> reaction
- Quasi-classical trajectory calculations analyzing the reactivity and dynamics of asymmetric stretch mode excitations of methane in the H + CH <inf>4</inf> reaction
- Quasi-classical trajectory study of the CN + NH<inf>3</inf> reaction based on a global potential energy surface
- Quasiclassical Trajectory Study on the Role of CH-Stretching Vibrational Excitation in the F(<sup>2</sup>P) + CHD<inf>3</inf>(v<inf>1</inf>=0,1) Reactions
- Quasiclassical trajectory calculations analyzing the role of vibrational and translational energy in the F+CH<inf>2</inf>D<inf>2</inf> reaction
- Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl+CH<inf>4</inf> reaction
- Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O(<sup>3</sup>P) + CH<inf>4</inf>(ν <inf>3</inf>= 1) → OH + CH<inf>3</inf>reaction on an analytical potential energy surface. Comparison with experiment
- RAIL: Reaction-path and variational rate constants using the integrated molecular orbital with harmonic cap method
- Rate constant calculations of the GeH<inf>4</inf> + OH/OD → GeH<inf>3</inf> + H<inf>2</inf>O/HOD reactions using an: Ab initio based full-dimensional potential energy surface
- Reaction-path and dual-level dynamics calculations of the CH<inf>3</inf>F + OH reaction
- Reaction-path dynamics calculations of the NEb + O(3P) hydrogen abstraction reaction
- Reaction-path dynamics calculations using integrated methods. The CF<inf>3</inf>CH<inf>3</inf> + OH hydrogen abstraction reaction
- Reaction-path dynamics calculations of the Cl + NH<inf>3</inf> hydrogen abstraction reaction: The role of the intermediate complexes
- Recalibration of two earlier potential energy surfaces for the CH<inf>4</inf> + H → CH<inf>3</inf> + H<inf>2</inf> reaction. Application of variational transition-state theory and analysis of the kinetic isotope effects using rectilinear and curvilinear coordinates
- Recrossing and Tunneling in the Kinetics Study of the OH + CH<inf>4</inf> → H<inf>2</inf>O + CH<inf>3</inf> Reaction
- Reduced dimensionality quantum scattering calculations on the F + CH <inf>4</inf> → FH + CH<inf>3</inf> reaction
- Reliability of the single-point calculation technique at characteristic points of the potential energy surface
- Rethinking the description of water product in polyatomic OH/OD + XH (X ≡ D, Br, NH<inf>2</inf> and GeH<inf>3</inf>) reactions: theory/experimental comparison
- Role of an ethyl radical and the problem of HF(v) bimodal vibrational distribution in the F(<sup>2</sup>P) + C<inf>2</inf>H<inf>6</inf> → HF(v) + C<inf>2</inf>H<inf>5</inf> reaction
- Role of the C-H stretch mode excitation in the dynamics of the Cl + CHD3 reaction: A quasi-classical trajectory calculation
- Role of the Vibrational and Translational Energies in the CN(v)+C<inf>2</inf>H<inf>6</inf>(ν<inf>1</inf>, ν<inf>2</inf>, ν<inf>5</inf> and ν<inf>9</inf>) Reactions. A Theoretical QCT Study
- Role of vibrational and translational energy in the OH + NH<inf>3</inf> reaction: A quasi-classical trajectory study
- Simulation of experimental imaging results for four isotopic variants of the OH + CH<inf>4</inf> reaction with a simple and relatively accurate theoretical approach
- Simulation of the experimental imaging results for the OH + CHD<inf>3</inf> reaction with a simple and accurate theoretical approach
- State-to-state dynamics analysis of the F + CHD<inf>3</inf> reaction: A quasiclassical trajectory study
- State-to-state dynamics of the Cl(<sup>2</sup>P) + C<inf>2</inf>H<inf>6</inf>(ν <inf>5</inf>, ν <inf>1</inf> = 0, 1) → HCl(v′, j′) + C<inf>2</inf>H<inf>5</inf> hydrogen abstraction reactions
- State-to-state quasi-classical trajectory study of the F + CH<inf>2</inf>D<inf>2</inf> reaction
- Superficies de energía potencial y reactividad química
- Superficies de energía potencial y reactividad química
- Superficies de energía potencial y reactividad química
- The CN + C2H6 reaction. Dynamics study based on an analytical full-dimensional potential energy surface.
- The CN(X<sup>2</sup>Σ<sup>+</sup>) + C<inf>2</inf>H<inf>6</inf> reaction: Dynamics study based on an analytical full-dimensional potential energy surface
- The SiH<inf>4</inf>+H→SiH<inf>3</inf>+H<inf>2</inf> reaction: Potential energy surface, rate constants, and kinetic isotope effects
- The Trapping of the OH Radical by Coenzyme Q. A Theoretical and Experimental Study
- The abstraction reaction of H and C-H stretch excited CHD<inf>3</inf>: A QCT study on an ab initio based potential energy surface
- The hydrogen abstraction reaction H+ CH4. II. Theoretical investigation of the kinetics and dynamics
- The hydrogen abstraction reaction O(<sup>3</sup>P) + CH<inf>4</inf>: A new analytical potential energy surface based on fit to ab initio calculations
- The hydrogen abstraction reaction H+ CH<sup>4</sup>. I. New analytical potential energy surface based on fitting to ab initio calculations
- The hydrogen abstraction reaction H + C<inf>2</inf>H<inf>6</inf> → H<inf>2</inf>(: V, j) + C<inf>2</inf>H<inf>5</inf>. Part II. Theoretical kinetics and dynamics study
- The hydrogen abstraction reaction H + C<inf>2</inf>H<inf>6</inf> → H<inf>2</inf>(: V, j) + C<inf>2</inf>H<inf>5</inf>. Part I. A full-dimensional analytical potential energy surface based on ab initio calculations
- The method of Gaussian weighted trajectories. V. on the 1GB procedure for polyatomic processes
- The nature of the SCF basis set superposition error. Application of the indirect counterpoise method in polyatomic van der Waals molecules
- The performance of the IMOMO and IMOHC integrated methods in predicting geometry, frequency and energy of reaction and activation in hydrogen abstraction reactions
- Theoretical C-H Bond Dissociation Enthalpies for CH<inf>3</inf>Br and CH<inf>2</inf>ClBr
- Theoretical C-H bond dissociation enthalpies for CH<inf>3</inf>OCl and CH<inf>3</inf>OBr
- Theoretical Enthalpies of Formation and O-H Bond Dissociation Enthalpy of an Ubiquinol Model and Its Free Radical
- Theoretical Kinetics Study of the F(<sup>2</sup>P) + NH<inf>3</inf>Hydrogen Abstraction Reaction (J. Phys. Chem. A (2014) 118:3 (554-560) DOI: 10.1021/jp4118453)
- Theoretical Study of the Trapping of the OOH Radical by Coenzyme Q
- Theoretical Study of the Pair-Correlated F + CHD<inf>3</inf>(v = 0,ν<inf>1</inf> = 1) Reaction: Effect of CH Stretching Vibrational Excitation
- Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH<inf>4</inf> reactions
- Theoretical approach to the thermochemistry and barrier heights of the first steps of the radical and anionic polymerization of ethene and formaldehyde
- Theoretical enthalpies of formation of large compounds using integrated methods
- Theoretical enthalpies of formation and O-H bond dissociation enthalpy of an α-tocopherol model and its free radical
- Theoretical enthalpies of formation for atmospheric hydroxycarbonyls
- Theoretical enthalpies of formation and C-H bond dissociation enthalpies of n-bromopropane and its free radicals
- Theoretical enthalpies of formation of ROX (R=H, CH<inf>3</inf>; X=F, Cl, Br) compounds
- Theoretical enthalpy of formation of the acetonyl radical
- Theoretical enthalpy of formation of the CH<inf>2</inf>CH<inf>2</inf>OH radical
- Theoretical kinetics study of the F(<sup>2</sup>P) + NH<inf>3</inf> hydrogen abstraction reaction
- Theoretical kinetics study of the O(<sup>3</sup>P) + CH<inf>4</inf>/CD <inf>4</inf> hydrogen abstraction reaction: The role of anharmonicity, recrossing effects, and quantum mechanical tunneling
- Theoretical kinetics analysis of the OH + CH<inf>3</inf>OH hydrogen abstraction reaction using a full-dimensional potential energy surface
- Theoretical rate constants: on the error cancellation using conventional transition-state theory and Wigner's tunnelling correction
- Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms
- Theoretical simulation of experimental imaging results for the isotopic H + CH<inf>4</inf>/CD<inf>4</inf> reactions
- Theoretical study of the antioxidant activity of vitamin E: Reactions of α-tocopherol with the hydroperoxy radical
- Theoretical study of the [ClHCl] pre-reactive complex
- Theoretical study of the CH<inf>4</inf>+F→CH<inf>3</inf>+FH reaction. II. Semiempirical surfaces
- Theoretical study of the CH<inf>4</inf>+F→CH<inf>3</inf>FH reaction. I. Ab initio reaction path
- Theoretical study of the F + NH<inf>3</inf> and F + ND<inf>3</inf> reactions: Mechanism and comparison with experiment
- Theoretical study of intermediate complexes and the saddle point for NH<inf>3</inf> + OH → NH<inf>2</inf> + H<inf>2</inf>O
- Theoretical study of the O(<sup>3</sup>P) + C<inf>2</inf>H<inf>6</inf>reaction based on a new: Ab initio -based global potential energy surface
- Theoretical study of the Cl(<sup>2</sup>P) + SiH<inf>4</inf>reaction: Global potential energy surface and product pair-correlated distributions. Comparison with experiment
- Theoretical study of the O(<sup>3</sup>P) + SiH<inf>4</inf> reaction: global potential energy surface, kinetics and dynamics study
- Theoretical value of the enthalpy of formation of methyl fluoride
- Theoretical values of the enthalpies of formation of the SH and HSO radicals
- Theoretical values of the enthalpies of formation of the NH<inf>x</inf> (x = 1,2,3) compounds. Importance of the core-correlation effects
- Thermochemistry data from kinetics results: A test of quality of the potential energy surface
- Transition state theory and Eckart's tunnelling factor: a good approximation for the calculation of bimolecular rate constants?
- Trapping of the OH radical by α-tocopherol: A theoretical study
- Understanding the activation energy trends for the C<inf>2</inf>H<inf>4</inf>+OH→C<inf>2</inf>H<inf>4</inf>OH reaction by using canonical variational transition state theory
- VTST and RPMD kinetics study of the nine-body X + C<inf>2</inf>H<inf>6</inf>(X ≡ H, Cl, F) reactions based on analytical potential energy surfaces
- Variational transition-state theory calculation using the direct dynamics method: NH<inf>3</inf>+H→NH<inf>2</inf>+H<inf>2</inf> reaction
- Variational transition state calculations of the CH<inf>2</inf>F<inf>2</inf> + OH hydrogen abstraction reaction
- Vibrational distribution and dynamics study of the HCN(v <inf>1</inf>, v <inf>2</inf>, v <inf>3</inf>) product in the CN + CH<inf>4</inf> hydrogen abstraction reaction
- Vibrational versus translational energies in the H + CCl<inf>4</inf> reaction: A quasi-classical trajectory study
- Vibrational versus translational energies in the F + CH<inf>4</inf> reaction: A comparison with the F + CH<inf>2</inf>D<inf>2</inf> reaction using quasi-classical trajectory methods
- Vibrational, rotational and translational effects on the OH(v, j) + CH<inf>4</inf>(v <inf>1</inf>, v <inf>2</inf>, v <inf>3</inf>, v <inf>4</inf>) dynamics reaction: a quasi-classical trajectory study
- Étude Théorique de Réactions de Couplage de Radicaux Libres
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