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Comparative study of Green's function matrix elements and charge transfers obtained from different partitioning schemes of molecular charge in hydrogen-bonded complexes
Parnaíba-da Silva, Antenor J., Silva, João Bosco P. da, Gama, A. Arnóbio S. da, Ramos, Mozart N.Volume:
17
Language:
english
Journal:
Journal of the Brazilian Chemical Society
DOI:
10.1590/s0103-50532006000200004
Date:
April, 2006
File:
PDF, 233 KB
english, 2006