about
Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations.The last mile of molecular reaction dynamics virtual experiments: the case of the OH(N = 1-10) + CO(j = 0-3) reaction.Reaction Dynamics of O((3)P) + Propyne: I. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Crossed Molecular Beam Experiments.Isomer-Specific Chemistry in the Propyne and Allene Reactions with Oxygen Atoms: CH3CH + CO versus CH2CH2 + CO Products.Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O((3)P) + Ethylene Reaction at High Collision Energy.Quasiclassical Trajectory Calculations of the N((2)D) + H2O Reaction Elucidating the Formation Mechanism of HNO and HON Seen in Molecular Beam Experiments.Crossed beam studies of the reactions of atomic oxygen in the ground 3P and first electronically excited 1D states with hydrogen sulfide.Formation of nitriles and imines in the atmosphere of Titan: combined crossed-beam and theoretical studies on the reaction dynamics of excited nitrogen atoms N(2D) with ethane.Combined crossed beam and theoretical studies of the C(1D) + CH4 reaction.Chemistry. Uncloaking the quantum nature of inelastic molecular collisions.Observation of organosulfur products (thiovinoxy, thioketene and thioformyl) in crossed-beam experiments and low temperature rate coefficients for the reaction S(1D) + C2H4.Crossed-beam and theoretical studies of the S(1D) + C2H2 reaction.Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric detection.Crossed beam polyatomic reaction dynamics: recent advances and new insights.Reaction Dynamics of O((3)P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential Energy Surfaces and Statistical Calculations.Relevance of the Channel Leading to Formaldehyde + Triplet Ethylidene in the O((3)P) + Propene Reaction under Combustion Conditions.Dynamics of the O((3)P) + C2H2 reaction from crossed molecular beam experiments with soft electron ionization detection.Experimental and theoretical studies of the O(3P) + C2H4 reaction dynamics: collision energy dependence of branching ratios and extent of intersystem crossing.Combined Experimental-Theoretical Study of the OH + CO → H + CO2 Reaction Dynamics.Autobiography of Piergiorgio Casavecchia: Forty Years of Happily Crossing Beams.The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2.General discussionDynamics of the Cl+H2/D2 reaction: a comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical calculationsDynamics of the Simplest Chlorine Atom Reaction: An Experimental and Theoretical StudyGeneral discussionDynamics of the C(1D)+H2reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfacesExperimental and Theoretical Differential Cross Sections for the N(2D) + H2Reaction†Dynamics of the insertion reaction C(1D) + H2: A comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical scattering calculationsQuantum Effects in the Differential Cross Sections for the Insertion ReactionN(D2)+H2Crossed-beam universal-detection reactive scattering of radical beams characterized by laser-induced-fluorescence: the case of C2and CNCrossed molecular beam study of gas phase reactions relevant to the chemistry of planetary atmospheres: The case of C2+C2H2The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2)+ H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfacesDifferential Cross Sections from Quantum Calculations on CoupledAb InitioPotential Energy Surfaces and Scattering Experiments forCl(P2)+H2ReactionsExperimental and theoretical differential cross sections for the reactions Cl+H2/D2Dynamics of the Cl+D2 reaction: a comparison of crossed molecular beam experiments with quasi-classical trajectory calculations on a new ab initio potential energy surfaceThe dynamics of the reaction OH + D2 → HOD + D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfacesCritical review of N, n^+^, N^+^_2_, n^++^, and N^++^_2_ main production processes and reactions of relevance to titan's atmosphereCrossed-beam dynamics studies of the radical–radical combustion reaction O(3P) + CH3(methyl)Combined Crossed Molecular Beam and Theoretical Studies of the N(2D) + CH4Reaction and Implications for Atmospheric Models of Titan†Unraveling the Dynamics of the C(3P,1D) + C2H2Reactions by the Crossed Molecular Beam Scattering Technique†
P50
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P50
description
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researcher
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wetenschapper
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հետազոտող
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name
Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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type
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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Piergiorgio Casavecchia
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P1053
F-4175-2014
P106
P21
P31
P3829
P496
0000-0003-1934-7891