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Geometry optimization of molecules in solution: Joint use of the mean field approximation and the free-energy gradient method
Galván, I. Fdez., Sánchez, M. L., Martín, M. E., Olivares del Valle, F. J., Aguilar, M. A.Volume:
118
Year:
2003
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1525798
File:
PDF, 336 KB
english, 2003