Publikationen von Miquel Garcia-Ratés

Zeitschriftenartikel (4)

2021
Zeitschriftenartikel
Garcia-Ratés, M.; Becker, U.; Neese, F. Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of Computational Chemistry 2021, 42, 1959–1973.
Zeitschriftenartikel
Altun, A.; Garcia-Ratés, M.; Neese, F.; Bistoni, G. Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex. Chemical Science 2021, 12, 12785–12793.
2020
Zeitschriftenartikel
Garcia-Ratés, M.; Neese, F. Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme. Journal of Computational Chemistry 2020, 41, 922–939.
2019
Zeitschriftenartikel
Garcia-Ratés, M.; Neese, F. Efficient implementation of the analytical second derivatives of hartree–fock and hybrid DFT energies within the framework of the conductor‐like polarizable continuum model. Journal of Computational Chemistry 2019, 40, 1816–1828.
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