Statistical rate theory for the HO+O⇔HO2⇔H+O2 reaction system: SACM/CT calculations between 0 and 5000 K

Lawrence B. Harding, A. I. Maergoiz, J. Troe, +1

The Journal of Chemical Physics

EngineeringStatistical Rate TheoryComputational ChemistryChemistryElectronic Excited State +18

Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. IV. Valence interactions between atoms and linear rotors

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

Bond Dissociation EnergyEngineeringClassical TrajectoryComputational ChemistryChemistry +20

Low-temperature behavior of capture rate constants for inverse power potentials

E. I. Dashevskaya, A. I. Maergoiz, J. Troe, +2

The Journal of Chemical Physics

Quantum DynamicQuantum ScienceCross SectionCharge ExcitationsEngineering +12

Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. II. Ion–quadrupole capture

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

Dipole Capture ProcessesEngineeringPhysicsNatural SciencesApplied Physics +6

Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. III. Dipole–dipole capture

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

Dipole–dipole CaptureChemical ThermodynamicsEngineeringPhysicsAnisotropic Dipole–dipole Potential +11

Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. I. Ion–dipole capture

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

Massey ParameterClassical TrajectoriesEngineeringPhysicsApplied Physics +9

Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. V. Valence interactions between two linear rotors

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

EngineeringClassical TrajectoryComputational ChemistryChemistryMolecular Dynamics +20

Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission. VI. Properties of transitional modes and specific rate constants k(E,J)

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

The Journal of Chemical Physics

EngineeringTheoretical Inorganic ChemistryTransitional ModesClassical TrajectoryComputational Chemistry +22

Adiabatic channel potential curves for two linear dipole rotors. I. Classification of states and numerical calculations for identical rotors

A. I. Maergoiz, E. E. Nikitin, J. Troe

The Journal of Chemical Physics

PhysicsLinear Dipole RotorsIdentical RotorsRelative MotionRotor Dynamic +2

Classical trajectory and statistical adiabatic channel study of the dynamics of capture and unimolecular bond fission.

A. I. Maergoiz, E. E. Nikitin, J. Troe, +1

MPG.PuRe (Max Planck Society)

Chemical KineticsEngineeringPhysicsNatural SciencesUnimolecular Bond Fission +9