Molecular Complexes in Earth's, Planetary, Cometary, &

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Language: English

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Pages: 268

Publisher: World Scientific Publishing Company (September 1997)

ISBN: 981023211X


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Assuming one has the gradient available for an anion at some starting geometry whose Cartesian coordinates I will denote X0 = {X1, Xz, � X3N}, one can attempt to find a local-minimum structure by making a series small displacements dXK (often called steps) in each of the coordinates proportional to, but in opposition to, the gradient gK along that direction dXK = - a gK. Thus, unlike cations C+, for which electron capture into a Rydberg state C** followed by radiationless relaxation to lower states, is often an effective means of production of the neutral C, the analogous avenue is infrequently available to generate anions.

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Molecular Complexes in Earth's, Planetary, Cometary, &