The development in the 1950s and 1960s of crossed molecular beam methods for studying chemical reactions at the single-collision molecular level stimulated the need and desire for theoretical methods to describe these and other dynamical processes in molecular systems. Chemical dynamics theory has made great strides in the ensuing decades, so that methods are now available for treating the quan...

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics s...

Understanding the gas-phase and gas-surface collision dynamics of highly vibrationally excited NO is necessary to model the rovibrational population distribution and infrared signatures of this important molecules in the upper atmosphere. Energy and momentum exchange between gas phase molecules and surfaces (especially oxidized surfaces) is also an important factor in the calculation of satelli...

Microtubules anchored to the two-dimensional cortex of plant cells collide through plus-end polymerization. Collisions can result in rapid depolymerization, directional plus-end entrainment, or crossover. These interactions are believed to give rise to cellwide self-organization of plant cortical microtubules arrays, which is required for proper cell wall growth. Although the cell-wide self-org...

We consider collisions of electric and magnetic polar molecules, taking the OH radical as an example, subject to combined electric and magnetic static fields. We show that the relative orientation of the fields has an important effect on the collision processes for different fields’ magnitudes at different collision energies. This is due to the way the molecules polarize in the combined electri...

In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nan...

The elementary reaction of ground state boron atoms, (B((2)P(j))), with ammonia (NH(3)(X(1)A(1))) was conducted under single collision conditions at a collision energy of 20.5 ± 0.4 kJ mol(-1) in a crossed molecular beams machine. Combined with electronic structure calculations, our experimental results suggested that the reaction was initiated by a barrier-less addition of the boron atom to th...

The spectrum of the depolarized Rayleigh light scattered by a gas of linear molecules is calculated by a kinetic theory approach based on the Waldman-Snider equation. Collisional and diffusional broadening are studied. The line width is related to relaxation coeff icients which are collision brackets obtained from the linearized Waldmann-Snider collision term involving the binary molecular scat...

Ultrafast laser spectroscopy has extended reaction-dynamic studies into the dcosecond and femtosecond time domain. allowing for experimintal observations of transitory fragments that occur during collision or half-collision. This ability to observe molecular reactions allows real-time viewing of energy redistributions, measurements of state-to-state rates, and tests of microscopic statistical t...