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Publications
(). Kinetic and Mechanistic Study of the Reactions of NO3 Radicals with Unsaturated Aldehydes: 2-Butenal, 2-Methyl-2-butenal, and 3-Methyl-2-butenal. In Journal of Physical Chemistry A (Vol. 126, Issue 46, p. 8682-8694). https://doi.org/10.1021/acs.jpca.2c04216
(). A CRYSTAL-based parameterization of carbon atom dynamic polarizabilities to compute optical properties of curved carbonaceous nanostructures. In Theoretical Chemistry Accounts (Vol. 141, Issue 11, p. 65). https://doi.org/10.1007/s00214-022-02926-1
(). Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study. In Chemical Physics (Vol. 523, p. 18-27). https://doi.org/10.1016/j.chemphys.2019.03.021
(). A DFT study of the interaction between large PAHs and atomic chlorine or hydrogen chloride molecule: Toward a modelling of the influence of chlorinated species on the trapping of water by soot. In Chemical Physics (Vol. 483-484, p. 46-55). https://doi.org/10.1016/j.chemphys.2016.11.006
(). Comment on “Dynamical derivation of eyring equation and the second-order kinetic law” [Int. J. Quantum Chem. 2010, 110, 2355]. In International Journal of Quantum Chemistry (Vol. 116, Issue 16, p. 1267). https://doi.org/10.1002/qua.25162
(). Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities. In European Journal of Physics (Vol. 37, Issue 5, p. 055705). https://doi.org/10.1088/0143-0807/37/5/055705
(). Kinetic Study of the Gas-Phase Reactions of Nitrate Radicals with Methoxyphenol Compounds: Experimental and Theoretical Approaches. In Journal of Physical Chemistry A (Vol. 120, Issue 17, p. 2691-2699). https://doi.org/10.1021/acs.jpca.6b02729
(). Pressure dependence of butyl nitrate formation in the reaction of butylperoxy radicals with nitrogen oxide. In Journal of Physical Chemistry A (Vol. 119, Issue 19, p. 4408-4417). https://doi.org/10.1021/jp509427x
(). Reversible addition of the OH radical to p-cymene in the gas phase: Multiple adduct formation. Part 2. In Physical Chemistry Chemical Physics (Vol. 16, Issue 32, p. 17315-17326). https://doi.org/10.1039/c4cp02073a
(). Theoretical study of the gas-phase reactions of NO3 radical with a series of trans -2-unsaturated aldehydes: From acrolein to trans-2-octenal. In Journal of Physical Chemistry A (Vol. 118, Issue 28, p. 5149-5155). https://doi.org/10.1021/jp503619d
(). Classical reactive scattering in a quantum spirit: Improving the shape of rotational state distributions for indirect reactions in the quantum regime. In Theoretical Chemistry Accounts (Vol. 133, Issue 8, p. 1527). https://doi.org/10.1007/s00214-014-1527-0
(). First-principles study of the interaction between NO and large carbonaceous clusters modeling the soot surface. In Journal of Physical Chemistry A (Vol. 118, Issue 8, p. 1443-1450). https://doi.org/10.1021/jp412217q
(). Adsorption of atmospheric oxidants at divacancy sites of graphene: A DFT study. In Computational and Theoretical Chemistry (Vol. 1016, p. 22-27). https://doi.org/10.1016/j.comptc.2013.04.017
(). Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100). In Journal of Chemical Physics (Vol. 138, Issue 2, p. 024706). https://doi.org/10.1063/1.4774024
(). Experimental and theoretical studies of the thermal degradation of a phenolic dibenzodioxocin lignin model. In Wood Science and Technology (Vol. 47, Issue 1, p. 27-41). https://doi.org/10.1007/s00226-012-0478-7
(). Gas-phase reaction of hydroxyl radical with hexamethylbenzene. In Journal of Physical Chemistry A (Vol. 116, Issue 50, p. 12189-12197). https://doi.org/10.1021/jp307568c
(). Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100). In Journal of Chemical Physics (Vol. 137, Issue 6, p. 064709). https://doi.org/10.1063/1.4742815
(). Structure and reactivity of carbon multivacancies in graphene. In Computational and Theoretical Chemistry (Vol. 990, p. 159-166). https://doi.org/10.1016/j.comptc.2012.01.008
(). Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster. In Chemical Physics (Vol. 399, p. 117-121). https://doi.org/10.1016/j.chemphys.2011.07.022
(). A new semi-empirical model for the oxidation of polycyclic aromatic hydrocarbon (PAHs) molecules physisorbed on soot. II. application to the reaction PAH + OH for a series of large PAH molecules. In Computational and Theoretical Chemistry (Vol. 965, Issue 2-3, p. 259-267). https://doi.org/10.1016/j.comptc.2010.10.048
(). Theoretical approach of the mechanism of the reactions of chlorine atoms with aliphatic aldehydes. In Computational and Theoretical Chemistry (Vol. 965, Issue 2-3, p. 321-327). https://doi.org/10.1016/j.comptc.2010.11.025
(). Water adsorption on oxidized single atomic vacancies present at the surface of small carbonaceous nanoparticles modeling soot. In ChemPhysChem (Vol. 11, Issue 18, p. 4088-4096). https://doi.org/10.1002/cphc.201000364
(). Quasi-classical statistico-dynamical description of polyatomic photo-dissociations: State-resolved distributions. In Physical Chemistry Chemical Physics (Vol. 12, Issue 1, p. 115-122). https://doi.org/10.1039/b917292k
(). Dynamical derivation of Eyring equation and the second-order kinetic law. In International Journal of Quantum Chemistry (Vol. 110, Issue 13, p. 2355-2359). https://doi.org/10.1002/qua.22545
(). Dynamics simulation of N2 scattering onto W(100,110) surfaces: A stringent test for the recently developed flexible periodic London-Eyring-Polanyi-Sato potential energy surface. In Journal of Chemical Physics (Vol. 132, Issue 20, p. 204501). https://doi.org/10.1063/1.3389479
(). Detailed description of the flexible periodic London-Eyring-Polanyi-Sato potential energy function. In Chemical Physics (Vol. 367, Issue 2-3, p. 136-147). https://doi.org/10.1016/j.chemphys.2009.11.012
(). Interaction of water molecules with defective carbonaceous clusters: An ab initio study. In Surface Science (Vol. 604, Issue 19-20, p. 1666-1673). https://doi.org/10.1016/j.susc.2010.06.011
(). A theoretical characterization of the interaction of water with oxidized carbonaceous clusters. In Carbon (Vol. 48, Issue 5, p. 1570-1579). https://doi.org/10.1016/j.carbon.2009.12.054
(). Water vapor effect on the HNO3 yield in the HO2 + NO reaction: Experimental and theoretical evidence. In Journal of Physical Chemistry A (Vol. 113, Issue 42, p. 11327-11342). https://doi.org/10.1021/jp811428p
(). A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6 H6 +OH. In Molecular Simulation (Vol. 35, Issue 12-13, p. 1130-1139). https://doi.org/10.1080/08927020902874016
(). Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces?. In Chemical Physics Letters (Vol. 471, Issue 1-3, p. 136-142). https://doi.org/10.1016/j.cplett.2009.01.046
(). Transformation from angle-action variables to Cartesian coordinates for polyatomic reactions. In Journal of Chemical Physics (Vol. 130, Issue 11, p. 114103). https://doi.org/10.1063/1.3089602
(). Erratum: A comparative study of the Si+O2 →SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods (Journal of Chemical Physics (2008) 128 (174307)). In Journal of Chemical Physics (Vol. 130, Issue 4, p. 049901). https://doi.org/10.1063/1.3062861
(). Adsorption of water molecules on partially oxidized graphite surfaces: A molecular dynamics study of the competition between OH and COOH sites. In Physical Chemistry Chemical Physics (Vol. 10, Issue 46, p. 6998-7009). https://doi.org/10.1039/b811126j
(). Vibrational predissociation of van der Waals complexes: Quasi-classical results with Gaussian-weighted trajectories. In Chemical Physics Letters (Vol. 463, Issue 1-3, p. 65-71). https://doi.org/10.1016/j.cplett.2008.08.052
(). The Si-B chromophore: A joint experimental and theoretical investigation. In Journal of Organometallic Chemistry (Vol. 693, Issue 15, p. 2592-2596). https://doi.org/10.1016/j.jorganchem.2008.04.031
(). Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2 N2 (X) system. In Journal of Chemical Physics (Vol. 128, Issue 16, p. 164313). https://doi.org/10.1063/1.2900560
(). A comparative study of the Si+O2 →siO+O reaction dynamics from quasiclassical trajectory and statistical based methods. In Journal of Chemical Physics (Vol. 128, Issue 17, p. 174307). https://doi.org/10.1063/1.2913156
(). Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces. In Journal of Chemical Physics (Vol. 128, Issue 24, p. 244308). https://doi.org/10.1063/1.2944246
(). On the theory of complex-forming chemical reactions: Effect of parity conservation on the polarization of differential cross sections. In Physical Chemistry Chemical Physics (Vol. 9, Issue 25, p. 3228-3240). https://doi.org/10.1039/b700906b
(). Time dependent wave packet and statistical calculations on the H + O 2 reaction. In Physical Chemistry Chemical Physics (Vol. 9, Issue 9, p. 1127-1137). https://doi.org/10.1039/b613375d
(). Cross sections and rate constants for the C (P3) +OH (X Π2) →cO (X +1) +H (S2) reaction using a quasiclassical trajectory method. In Journal of Chemical Physics (Vol. 126, Issue 18, p. 184308). https://doi.org/10.1063/1.2731788
(). Stereoselectivity as a probe of unexpected reaction pathways. In Bulletin of the Chemical Society of Japan (Vol. 80, Issue 4, p. 707-710). https://doi.org/10.1246/bcsj.80.707
(). Mean potential phase space theory of chemical reactions. In Journal of Chemical Physics (Vol. 127, Issue 8, p. 084308). https://doi.org/10.1063/1.2768959
(). Classical treatment of molecular collisions: Striking improvement of the description of recoil energy distributions using Gaussian weighted trajectories. In Journal of Chemical Physics (Vol. 126, Issue 4, p. 041102). https://doi.org/10.1063/1.2435716
(). A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces. In Journal of Molecular Structure: THEOCHEM (Vol. 772, Issue 1-3, p. 1-12). https://doi.org/10.1016/j.theochem.2006.06.011
(). Parity conservation and polarization of differential cross sections in complex-forming chemical reactions. In Physical Chemistry Chemical Physics (Vol. 8, Issue 34, p. 3951-3954). https://doi.org/10.1039/b608811b
(). Experimental and theoretical study of the reaction of OH radical with sabinene. In Physical Chemistry Chemical Physics (Vol. 8, Issue 27, p. 3211-3217). https://doi.org/10.1039/b604489a
(). A reinvestigation of the kinetics and the mechanism of the CH 3 C(O)O2 + HO2 reaction using both experimental and theoretical approaches. In Physical Chemistry Chemical Physics (Vol. 8, Issue 18, p. 2163-2171). https://doi.org/10.1039/b518321a
(). Statisticodynamical approach of final state distributions in associative desorptions. In Journal of Chemical Physics (Vol. 124, Issue 19, p. 194701). https://doi.org/10.1063/1.2189854
(). Molecular dynamics simulation study of water adsorption on hydroxylated graphite surfaces. In Journal of Physical Chemistry B (Vol. 110, Issue 16, p. 8398-8408). https://doi.org/10.1021/jp056889t
(). Validity of phase space theory for atom-diatom insertion reactions. In Journal of Physical Chemistry A (Vol. 110, Issue 4, p. 1552-1560). https://doi.org/10.1021/jp053822x
(). Dynamical study of H2 and D2 desorbing from a Cu(111) surface. In Journal of Physical Chemistry A (Vol. 110, Issue 4, p. 1608-1617). https://doi.org/10.1021/jp054143p
(). On the key factors of angular correlations in complex-forming elementary reactions. In European Physical Journal D (Vol. 38, Issue 1, p. 65-73). https://doi.org/10.1140/epjd/e2006-00047-9
(). Adsorption of atomic oxygen on the Cu(1 0 0) surface. In Surface Science (Vol. 599, Issue 1-3, p. 160-172). https://doi.org/10.1016/j.susc.2005.09.044
(). Relaxation of hot atoms following H2 dissociation on a Pd(111) surface. In Journal of Chemical Physics (Vol. 122, Issue 21, p. 214705). https://doi.org/10.1063/1.1924550
(). Ab initio study of the water adsorption on hydroxylated graphite surfaces. In Chemical Physics Letters (Vol. 406, Issue 4-6, p. 430-435). https://doi.org/10.1016/j.cplett.2005.03.026
(). On the dynamics of H2 desorbing from a Pt(1 1 1) surface. In Surface Science (Vol. 581, Issue 2-3, p. 189-198). https://doi.org/10.1016/j.susc.2005.02.052
(). Rotational excitation and de-excitation of HF molecules by He atoms. In Astronomy and Astrophysics (Vol. 430, Issue 3, p. 1139-1142). https://doi.org/10.1051/0004-6361:20041094
(). On the statisticodynamical approach of final state distributions in simple bond fissions. In Physical Chemistry Chemical Physics (p. 3540-3544). https://doi.org/10.1039/b507509b
(). Gaussian weighting in the quasiclassical trajectory method. In Chemical Physics Letters (Vol. 397, Issue 1-3, p. 106-109). https://doi.org/10.1016/j.cplett.2004.08.068
(). Gas phase oxidation of benzene: Kinetics, thermochemistry and mechanism of initial steps. In Physical Chemistry Chemical Physics (Vol. 6, Issue 9, p. 2245-2253). https://doi.org/10.1039/b315953a
(). Vibrational deactivation of F2 (ν = 1, j = 0) by 1H at very low energy. In Chemical Physics (Vol. 298, Issue 1-3, p. 175-181). https://doi.org/10.1016/j.chemphys.2003.11.020
(). Statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions. II. Validation and distribution shape analysis in the barrier case. In Journal of Chemical Physics (Vol. 120, Issue 8, p. 3679-3687). https://doi.org/10.1063/1.1641782
(). Statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions. I. Formal developments for conserved vibrations. In Journal of Chemical Physics (Vol. 120, Issue 8, p. 3665-3678). https://doi.org/10.1063/1.1641781
(). On product state distributions in triatomic unimolecular reactions: IV. Selfconsistency of the statisticodynamical approach. In Chemical Physics Letters (Vol. 383, Issue 3-4, p. 288-291). https://doi.org/10.1016/j.cplett.2003.10.137
(). Isomerisation reactions of alkoxy radicals: Theoretical study and structure-activity relationships. In Physical Chemistry Chemical Physics (Vol. 5, Issue 21, p. 4828-4833). https://doi.org/10.1039/b307708j
(). Kinetics and mechanism of the gas-phase reaction of the cyclohexadienyl radical c-C6 H7 with O2 . In Physical Chemistry Chemical Physics (Vol. 5, Issue 21, p. 4840-4845). https://doi.org/10.1039/b308107a
(). Vibrational quenching of HF(v = 1, j) molecules by 3He atoms at very low energy. In Chemical Physics (Vol. 294, Issue 2, p. 117-127). https://doi.org/10.1016/S0301-0104(03)00396-3
(). Theoretical study of a series of alkyllithium clusters. In Journal of Molecular Structure: THEOCHEM (Vol. 631, Issue 1-3, p. 53-66). https://doi.org/10.1016/S0166-1280(03)00133-7
(). Role of the middle and long range parts of the NO2 potential energy surfaces: Anomalous density of states and recombination rate constant. In Physical Chemistry Chemical Physics (Vol. 5, Issue 10, p. 2039-2046). https://doi.org/10.1039/b211547f
(). Infrared spectroscopy studies and MNDO/d calculations in organosilylborane series. In Journal of Molecular Structure (Vol. 646, Issue 1-3, p. 179-189). https://doi.org/10.1016/S0022-2860(02)00714-7
(). Vibrational deactivation of [Formula Presented] by [Formula Presented] at very low energy: A comparative study with the [Formula Presented] collision. In Physical Review A - Atomic, Molecular, and Optical Physics (Vol. 68, Issue 3, p. 9). https://doi.org/10.1103/PhysRevA.68.032716
(). An experimental and theoretical investigation of the gas-phase benzene-OH radical adduct + O2 reaction. In Physical Chemistry Chemical Physics (Vol. 4, Issue 19, p. 4678-4686). https://doi.org/10.1039/b204415c
(). Reaction of methylidyne CH(X2π) radical with CH4 and H2 S: Overall rate constant and absolute atomic hydrogen production. In Chemical Physics (Vol. 279, Issue 2-3, p. 87-99). https://doi.org/10.1016/S0301-0104(02)00443-3
(). On product state distributions in triatomic unimolecular reactions. Part III. Barrier processes with a path defined by bent geometries. In Physical Chemistry Chemical Physics (Vol. 4, Issue 10, p. 1781-1790). https://doi.org/10.1039/b110235b
(). Classical dynamics of dissociative adsorption for a nonactivated system: The role of zero point energy. In Journal of Chemical Physics (Vol. 116, Issue 20, p. 9005-9013). https://doi.org/10.1063/1.1471248
(). On product state distributions in triatomic unimolecular reactions. Part II. Processes governed by non-linear bending forces. In Physical Chemistry Chemical Physics (Vol. 4, Issue 9, p. 1577-1580). https://doi.org/10.1039/b109739n
(). Modelling of reagent reorientation and tunneling in the activated exchange reaction N(2D) + H2 →NH + H. In Physical Chemistry Chemical Physics (Vol. 4, Issue 9, p. 1571-1576). https://doi.org/10.1039/b109737g
(). Vibrational quenching of [Formula Presented] by [Formula Presented] Surface and close-coupling calculations at very low energy. In Physical Review A - Atomic, Molecular, and Optical Physics (Vol. 66, Issue 4, p. 9). https://doi.org/10.1103/PhysRevA.66.042703
(). CH3 C(O)OCH(O·)CH3 alkoxy radical derived from ethyl acetate: Novel rearrangement confirmed by computational chemistry. In Physical Chemistry Chemical Physics (Vol. 4, Issue 23, p. 5789-5794). https://doi.org/10.1039/b207511n
(). Trajectory surface hopping study of the C + CH reaction. In Physical Chemistry Chemical Physics (Vol. 4, Issue 12, p. 2560-2567). https://doi.org/10.1039/b106963b
(). barium cation complexation by flexible mono- and ditopic receptors, studied by UV absorption and fluorescence spectroscopy. In European Journal of Organic Chemistry (Issue 2, p. 331-344). https://doi.org/10.1002/1099-0690(20021)2002:2<331::AID-EJOC331>3.0.CO;2-E
(). Theoretical study on the atmospheric fate of carbonyl radicals: Kinetics of decomposition reactions. In Physical Chemistry Chemical Physics (Vol. 3, Issue 21, p. 4712-4717). https://doi.org/10.1039/b105824j
(). Alkoxyl radical decomposition explained by a valence-bond model. In Physical Chemistry Chemical Physics (Vol. 3, Issue 17, p. 3656-3661). https://doi.org/10.1039/b103791a
(). Analytical global potential energy surfaces of the two lowest A′ states of NO. In Physical Chemistry Chemical Physics (Vol. 3, Issue 14, p. 2726-2734). https://doi.org/10.1039/b101507i
(). Rationale for reagent reorientation in the activated bimolecular reaction N(2D) + H2 : Beyond the angular dependent line of center model. In Journal of Chemical Physics (Vol. 114, Issue 21, p. 9380-9389). https://doi.org/10.1063/1.1367332
(). Kinematic rotations in RRKM theory. In Chemical Physics Letters (Vol. 338, Issue 4-6, p. 385-388). https://doi.org/10.1016/S0009-2614(01)00196-8
(). On product state distributions in triatomic unimolecular reactions: beyond phase space theory and the adiabatic assumption. In Journal of Chemical Physics (Vol. 114, Issue 8, p. 3349-3364). https://doi.org/10.1063/1.1342220
(). Kinetics of the reaction of SF6 - with O3 . In Physical Chemistry Chemical Physics (Vol. 3, Issue 2, p. 193-197). https://doi.org/10.1039/b006038k
(). Density of Loosely Bound States in a Triatomic Molecule: The Role of Long Range Interactions. In Zeitschrift fur Physikalische Chemie (Vol. 215, Issue 37104, p. 1069). https://doi.org/10.1524/zpch.2001.215.8.1069
(). Monoallylstannanes, reagents for allylic radical transfer. Part I. In Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry (Vol. 4, Issue 7, p. 641-648). https://doi.org/10.1016/S1387-1609(01)01287-7
(). Role of orientational forces in nonactivated molecular dissociation on a metal surface. In Physical Review B - Condensed Matter and Materials Physics (Vol. 63, Issue 4, p. 414021-414024). https://doi.org/10.1103/physrevb.63.041402
(). Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2 H molecule. In Molecular Physics (Vol. 98, Issue 23, p. 1925-1938). https://doi.org/10.1080/002689700750036944
(). Analytical representations of high level ab initio potential energy curves of the C2 molecule. In Journal of Molecular Structure: THEOCHEM (Vol. 531, Issue 1-3, p. 159-167). https://doi.org/10.1016/S0166-1280(00)00442-5
(). Theoretical study of alkoxyl radical decomposition reactions: Structure-activity relationships. In Physical Chemistry Chemical Physics (Vol. 2, Issue 17, p. 3765-3772). https://doi.org/10.1039/b003993o
(). A crossed-beam study of the reaction C( 1 D)+H 2 (X 1Σ+ , v=0 ) → CH(X 2Π , v′ )+H( 2 S). In Chemical Physics Letters (Vol. 327, Issue 3-4, p. 197-202). https://doi.org/10.1016/S0009-2614(00)00870-8
(). Theoretical study on the comparative fate of the 1-butoxy and β- hydroxy-1-butoxy radicals. In Physical Chemistry Chemical Physics (Vol. 2, Issue 9, p. 1919-1928). https://doi.org/10.1039/b000737o
(). Global analytical representations of the three lowest potential energy surfaces of C2 H, and rate constant calculations for the C(3P) + CH(2II) reaction. In Physical Chemistry Chemical Physics (Vol. 2, Issue 8, p. 1693-1700). https://doi.org/10.1039/a908692g
(). Statistical treatment of recoil energy and angular distributions in the products of the reactions O(1D, 1P) + ICH3 → OI + CH3 . In Physical Chemistry Chemical Physics (Vol. 2, Issue 4, p. 741-745). https://doi.org/10.1039/a908110k
(). Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2 H molecule. In Molecular Physics (Vol. 98, Issue 23, p. 1925-1938). https://doi.org/10.1080/00268970009483396
(). Structures and Si-N bond strengths of some cyclodi- and cyclotrisilazanes. In Journal of Molecular Structure: THEOCHEM (Vol. 487, Issue 3, p. 241-250). https://doi.org/10.1016/S0166-1280(98)00588-0
(). Some key factors of energy distributions in the products of complex-forming elementary reactions. In Physical Chemistry Chemical Physics (Vol. 1, Issue 10, p. 2383-2400). https://doi.org/10.1039/a809986c
(). Theoretical study of the kinetics of the hydrogen abstraction from methanol. 3. Reaction of methanol with hydrogen atom, methyl, and hydroxyl radicals. In Journal of Physical Chemistry A (Vol. 103, Issue 19, p. 3750-3765). https://doi.org/10.1021/jp984367q
(). Optimal spectral filtering in a finite subspace: A Lanczos-based implementation. In Physical Chemistry Chemical Physics (Vol. 1, Issue 6, p. 1311-1316). https://doi.org/10.1039/a808450e
(). A model of exit-channel corrected state distributions in the products of three-atom barrierless unimolecular reactions. In Journal of Chemical Physics (Vol. 110, Issue 10, p. 4772-4776). https://doi.org/10.1063/1.478363
(). Ab initio theoretical studies of the reactions between fluorine atoms and halomethanes of type CHCl(3-x)F(x) (x = 0, 1, 2 or 3). In Physical Chemistry Chemical Physics (Vol. 1, Issue 3, p. 383-389). https://doi.org/10.1039/a807297c
(). Crossed beam studies of the O(3P,1D) + CH3 I reactions: Direct evidence of intersystem crossing. In Faraday Discussions (Vol. 113, p. 133-150). https://doi.org/10.1039/a902949d
(). Theoretical study of the kinetics of the hydrogen abstraction from methanol. 2. Reaction of methanol with chlorine and bromine atoms. In Journal of Physical Chemistry A (Vol. 102, Issue 46, p. 9230-9243). https://doi.org/10.1021/jp980846d
(). Theoretical study of the kinetics of the hydrogen abstraction from methanol, 1. Reaction of methanol with fluorine atoms. In Journal of Physical Chemistry A (Vol. 102, Issue 46, p. 9219-9229). https://doi.org/10.1021/jp980845l
(). Statistical analysis of the recoil energy distributions in the products of the unimolecular dissociations of NO2 and C2 O. In Chemical Physics Letters (Vol. 296, Issue 1-2, p. 19-24). https://doi.org/10.1016/S0009-2614(98)01027-6
(). Theoretical study of the reaction CH(X2Π) + NO(X2Π). 3. Determination of the branching ratios. In Journal of Physical Chemistry A (Vol. 102, Issue 19, p. 3358-3367). https://doi.org/10.1021/jp980159m
(). Ab initio study of the potential energy surfaces for the reaction C + CH → C2 + H. In Journal of Physical Chemistry A (Vol. 102, Issue 11, p. 2009-2015). https://doi.org/10.1021/jp9726596
(). On the analysis of exit-channel effects in three-atom unimolecular reactions. In European Physical Journal D (Vol. 4, Issue 2, p. 169-179). https://doi.org/10.1007/s100530050197
(). A model of rotational-translational energy transfer in the exit-channel of a three-atom unimolecular reaction. In Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry (Vol. 1, Issue 2, p. 101-108). https://doi.org/10.1016/s1251-8069(97)86268-9
(). Some new aspects of product distribution functions for three-atom unimolecular reactions performed in beam experiments. In Journal of Physical Chemistry A (Vol. 101, Issue 49, p. 9318-9326). https://doi.org/10.1021/jp9712009
(). Rate coefficients for the gas phase reactions of CF3 CH2 F (HFC-134a) with chlorine and fluorine atoms: Experimental and ab initio theoretical studies. In Journal of Physical Chemistry A (Vol. 101, Issue 45, p. 8503-8507). https://doi.org/10.1021/jp972001s
(). Quasiclassical trajectory method for molecular scattering processes: Necessity of a weighted binning approach. In Chemical Physics Letters (Vol. 277, Issue 1-3, p. 183-190). https://doi.org/10.1016/S0009-2614(97)00881-6
(). Theoretical study of the reaction CH(X2Π) + NO(X2Π). I. Determination of some reaction paths in the lowest triplet potential energy surface. In Journal of Physical Chemistry A (Vol. 101, Issue 34, p. 6077-6091). https://doi.org/10.1021/jp970203i
(). Toward a single-valued DMBE potential energy surface for CHNO(3A). 1. Diatomic fragments. In Journal of Physical Chemistry A (Vol. 101, Issue 26, p. 4828-4834). https://doi.org/10.1021/jp9707201
(). First evidence of visible-range absorbing Si-B chromophores. In Chemical Communications (Issue 16, p. 1535-1536). https://doi.org/10.1039/a702106b
(). Rate coefficients of the reactions of chlorine atoms with haloethanes of type CH3 CCl3-x Fx (x = 0, 1, and 2): Experimental and ab initio theoretical studies. In Journal of Physical Chemistry (Vol. 100, Issue 32, p. 13531-13538). https://doi.org/10.1021/jp9603243
(). Theoretical studies of high-spin organic molecules. 1. Enhanced coupling between multiple unpaired electrons. In Journal of Physical Chemistry (Vol. 100, Issue 23, p. 9631-9637). https://doi.org/10.1021/jp953552q
(). On the classical approach of microcanonical statistical theory of three-atom reactions governed by long-range forces. In Chemical Physics (Vol. 201, Issue 1, p. 203-214). https://doi.org/10.1016/0301-0104(95)00246-1
(). Rate constant calculations for atom-diatom reactions involving an open shell atom and a molecule in a Π electronic state: Application to the C(3P) + NO(X 2Π) reaction. In Chemical Physics (Vol. 195, Issue 1-3, p. 259-270). https://doi.org/10.1016/0301-0104(95)00066-W
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