Collisions, molecular

In many kinds of atomic and molecular collision problem the wavefunction has many oscillations because the... 

Child M S 1974 Molecular Collision Theory (New York Academic)... 

Massey H S W 1979 Atomic and Molecular Collisions (London Taylor and Francis)... 

Murrell J N and Bosanac S D 1989 introduction to the Theory of Atomic and Molecular Collisions (New York Wiley)... 

Miller W H (ed) 1976 Dynamics of Molecular Collisions (New York Plenum)... 

Bowman J M (ed) 1983 Molecular Collision Dynamics (Berlin Springer)... 

Miller W H 1971 Semiclassical nature of atomic and molecular collisions Accounts Chem. Res. 4 161-7 Miller W H 1974 Classical-limit quantum mechanics and the theory of molecular collisions Adv. Chem. Phys. 25 69-177... 

Miller W H 1975 Classical S-matrix in molecular collisions Adv. Chem. Phys. 30 77-136... 

Hase W L 1976 Modem Theoretical Chemistry. 2. Dynamics of Molecular Collisions part B, ed W H Miller (New York Plenum) p 121... 

Some of the internal (rovibronic) energy of the atomic and molecular collision partners is transfomred into extra translational energy AE = (or consumed, if A E is negative). If one averages over a thennal... 

Faubel M 1983 Vibrational and rotational excitation in molecular collisions Adv. Atom. Mol. Phys. 19 345... 

Miller W H 1974 Classical-limit quantum mechanics and the theory of molecular collisions Adv. Chem. 

Tully J C and Preston R K 1971 Trajectory surface hopping approach to nonadiabatic molecular collisions the reaction of H" with D2 J. Chem. Phys. 55 562... 

Sharma R D and Brau C A 1969 Energy transfer in near-resonant molecular collisions due to long-range forces with application to transfer of vibrational energy from the mode of CO2 to N2 J. Chem. Phys. 50 924-30... 

Tully, J. C. Nonadiabatic Processes in Molecular Collisions. In Dynamics of Molecular Collisions, Part B (W.H. Miller, ed.). Plenum, New York (1976) Zener, C. Non-adiabatic crossing of energy levels, Proc. R. Soc. London, Ser. A 137 (1932) 696-702... 

The first energy derivative is called the gradient g and is the negative of the force F (with components along the a center denoted Fa) experienced by the atomic centers F = -g. These forces, as discussed in Chapter 16, can be used to carry out classical trajectory simulations of molecular collisions or other motions of large organic and biological molecules for which a quantum treatment of the nuclear motion is prohibitive. 

Langevin dynamics simulates the effect of molecular collisions and the resulting dissipation of energy that occur in real solvents, without explicitly including solvent molecules. This is accomplished by adding a random force (to model the effect of collisions) and a frictional force (to model dissipative losses) to each atom at each time step. Mathematically, this is expressed by the Langevin equation of motion (compare to Equation (22) in the previous chapter) ... 

Effusion separator (or effusion enricher). An interface in which carrier gas is preferentially removed from the gas entering the mass spectrometer by effusive flow (e.g., through a porous tube or through a slit). This flow is usually molecular flow, such that the mean free path is much greater than the largest dimension of a traverse section of the channel. The flow characteristics are determined by collisions of the gas molecules with surfaces flow effects from molecular collisions are insignificant. 

Diffusional interception or Brownian motion, ie, the movement of particles resulting from molecular collisions, increases the probability of particles impacting the filter surface. Diffusional interception also plays a minor role in Hquid filtration. The nature of Hquid flow is to reduce lateral movement of particles away from the fluid flow lines. 

As a practical method, designers have employed other methods such as / -pentane conversion as a key component, kinetic severity factor (31), or molecular collision parameter (32) to represent severity. Alternatively, molecular weight of the complete product distribution has been used to define conversion (A) for Hquid feeds. 

P Pechukas. In WH Miller, ed. Dynamics of Molecular Collisions, Part B. New York Plenum Press, 1976, pp 269-322. 

Child, M.S., 1974, Molecular Collision Theory (Academic Press, London). 

Maxwell found that he could represent the distribution of velocities statistically by a function, known as the Maxwellian distribution. The collisions of the molecules with their container gives rise to the pressure of the gas. By considering the average force exerted by the molecular collisions on the wall, Boltzmann was able to show that the average kinetic energy of the molecules was... 

Thermal energy is carried by the molecules in the form of their motions and some of it, through molecular collisions, is transferred to molecules of a second object, when put in contact with it. This mechanism for transferring thermal energy is called conduction. 

Effective and ineffective molecular collisions. For a collision to result in reaction, die molecules must be properly oriented. For the... 

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