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Miquel Garcia-Ratés

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2021
[j3]
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Miquel Garcia-Ratés, Ute Becker, Frank Neese:
Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. J. Comput. Chem. 42(27): 1959-1973 (2021)
2020
[j2]
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Miquel Garcia-Ratés, Frank Neese:
Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme. J. Comput. Chem. 41(9): 922-939 (2020)
2019
[j1]
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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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