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Femtosecond Multidimensional Imaging of a Molecular Dissociation
The coupled electronic and vibrational motions governing chemical processes are best viewed from the molecule's point of view—the molecular frame. Measurements made in the laboratory frame oftenExpand
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On the Statistical Theory of Unimolecular Processes
In recent years there has been an increasing use of laser spectroscopic and other techniques to investigate unimolecular dissociations of molecules, both to initiate a dissociation and to measure theExpand
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Study of the recombination reaction methyl + methyl .fwdarw. ethane. 2. Theory
A microcanonical variational RRKM rate constant calculation, based on the flexible transition-state theory of Wardlaw and Marcus (Chem. Phys. Lett. 1984, 110, 230) and an adjustable semiempiricalExpand
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Temperature and Isotope Dependence of the Reaction of Methyl Radicals with Deuterium Atoms
The reactions of methyl isotopomers (CH3, CH2D, and CHD2) with excess deuterium atoms have been studied using discharge flow/mass spectrometry at 298 K and at pressures of ∼1 Torr (helium). At theseExpand
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Three-particle integrals with spherical Bessel and Neumann functions and photodetachment of the negatively charged hydrogen ions
A few approaches are derived to calculate three-particle integrals which include spherical Bessel functions of the first and second kind, i.e., the $$j_{\ell }(V r)$$jℓ(Vr) and $$n_{\ell }(VExpand
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RRKM reaction rate theory for transition states of any looseness
Unimolecular rate theory for various types of reactions is implemented for any looseness of transition state. Quantum states are counted for all but the “transitional” modes, their phase space beingExpand
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Unimolecular reaction rate theory for transition states of partial looseness. II. Implementation and analysis with applications to NO2 and C2H6 dissociations
Implementation of RRKM theory for unimolecular dissociations having transition states of any degree of looseness is described for reactions involving dissociation into two fragments. The fragmentsExpand
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A semiclassical approach to intense-field above-threshold dissociation in the long wavelength limit. II. Conservation principles and coherence in surface hopping
This paper is a companion to our recently published semiclassical formalism for treating time-dependent Hamiltonians [J. Chem. Phys. 105, 4094 (1996)], which was applied to study the dissociation ofExpand
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A semiclassical approach to intense‐field above‐threshold dissociation in the long wavelength limit
A new semiclassical formalism has been developed to treat Hamiltonians having explicit time dependence, with particular application to the dissociation of diatomic ions in intense laser fields. BasedExpand
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Theoretical Study of 31 P NMR Chemical Shifts for Organophosphorus Esters, Their Anions and O,O-Dimethylthiophosphorate Anion with Metal Complexes
In rationalizing such results one of the guidingprinciples that has come through theoretical and experi-mental studies is the concept of electronegativity, i.e. thatincrease in electron density of anExpand
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