classical trajectory (monte carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the h¯+c2h2 system. the method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. it is also assumed that the colliding particles have a definite size. the thermal ...

Classical trajectory (Monte Carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the H¯+C2H2 system. The method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. It is also assumed that the colliding particles have a d...

A simple quantum-defect model gives analytic expressions for the complex scattering length and threshold collision rates of ultracold molecules. If the probability of reaction in the short-range part of the collision is high, the model gives universal rate constants for s- and p-wave collisions that are independent of short-range dynamics. This model explains the magnitudes of the recently meas...

The dissociation/recombination reaction CH(4) (+M) ⇔ CH(3) + H (+M) is modeled by statistical unimolecular rate theory completely based on dynamical information using ab initio potentials. The results are compared with experimental data. Minor discrepancies are removed by fine-tuning theoretical energy transfer data. The treatment accounts for transitional mode dynamics, adequate centrifugal ba...

a classical theory is developed which calculates the momentum transfer rate constant between an ion and a non-polar molecule. the model takes into consideration the effect of diffraction outside the capture limit on the rate constants. the theory is used to calculate momentum transfer rate constant for cl- with trans-dichloroethylene and para-difluorobenzene. theoretical results are compared to...

Ultracold collisions of polar OH molecules are considered in the presence of an electrostatic field. The field exerts a strong influence on both elastic and state-changing inelastic collision rate constants, leading to clear experimental signatures that should help disentangle the theory of cold molecule collisions. Based on the collision rates, we discuss the prospects for evaporative cooling ...

We have systematically established the excitation frequency, amplitude, duration, and buffer gas pressure for optimal axialization efficiency and mass selectivity of quadrupolar excitation-collisional cooling for isolation of parent ions for collision-induced dissociation in Fourier transform ion cyclotron resonance mass spectrometry. For example, at high quadrupolar excitation amplitude, ion a...

The gas-phase reactivity of vanadium-containing dianions, NaV3O92? and its hydrated form H2NaV3O102?, were probed towards sulphur dioxide at room temperature by ion-molecule reaction (IMR) experiments in the collision cell an ion trap mass spectrometer. sequential addition two SO2 molecules to dianion leads breakage stable V3O9 backbone, resulting a charge separation process with formation new ...