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Full geometry optimizations of core ionized species and their equivalent core ions: an ab initio study of energies, geometries, charges and vibrational frequencies

✍ Scribed by David B. Adams


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
480 KB
Volume
69
Category
Article
ISSN
0368-2048

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πŸ“œ SIMILAR VOLUMES


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