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Analysis of the Errors in the Electrostatically Embedded Many-Body Expansion of the Energy and the Correlation Energy for Zn and Cd Coordination Complexes with Five and Six Ligands and Use of the Analysis to Develop a Generally Successful Fragmentation Strategy
Kurbanov, Elbek K., Leverentz, Hannah R., Truhlar, Donald G., Amin, Elizabeth A.Volume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct4001872
Date:
June, 2013
File:
PDF, 2.09 MB
english, 2013