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ORCID"Efficient implementation of the analytical second derivatives of ..."
Miquel Garcia-Ratés, Frank Neese (2019)
- Miquel Garcia-Ratés
, Frank Neese:
Efficient implementation of the analytical second derivatives of hartree-fock and hybrid DFT energies within the framework of the conductor-like polarizable continuum model. J. Comput. Chem. 40(20): 1816-1828 (2019)
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