Ab initio molecular orbital calculations on beryllium and magnesium atom reactions with water |
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| Authors: | L.A. Curtiss D.J. Frurip |
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| Affiliation: | Chemical Engineering Division, Argonne National Laboratory, Argonne, Illinois 60513 USA |
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| Abstract: | Ab initio molecular orbital calculations are reported for beryllium and magnesium atom complexes with water, Be. OH2 and Mg OH2, and for species resulting from insertion of the metal atom(s) into the water molecule, HBeOH, HMgOH, HBeOBeH, and HMgOMgH |
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