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Contents
Common terms and phrasesA. J. C. Varandas adiabatic angle applications approach approximation asymptotic atoms basis functions basis set calculations channel Chem chemical Chemistry classical coefficients collision computational conical intersection coupling cross sections D. G. Truhlar DAFs defined degrees of freedom delta sequence derivative diatomic distributions dynamics eigenvalues electronic evaluated expansion experimental Fourier G. C. Schatz G. G. Balint-Kurti geometry global H2 reaction Hamiltonian hyperspherical hyperspherical coordinates initial wavepacket initio points integration interaction interpolation J-shifting Jacobi coordinates kcal/mol kinetic Lagana Lett matrix method molecular Molecular Dynamics molecule motion obtained parallel parameters Phys potential energy surface potential surface problem propagation quantum number rate constant reactants reaction probability reactive scattering region rotational Schrodinger equation skeletons sodalite spline structure symmetric thermal rate constant time-dependent tion total angular momentum total energy transition state theory translational energy vibrational wave function wavefunction wavepacket zeolite Zhang References from web pagesFeature article Overview of reduced dimensionality quantum ... Barcelona, 25 de Gener 2001 Bibliographic information
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