Publications of Miquel Garcia-Ratés

Bhattacharjee, S.; Isegawa, M.; Garcia-Ratés, M.; Neese, F.; Pantazis, D. A.: Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches. Journal of Chemical Theory and Computation 18 (3), pp. 1619 - 1632 (2022)

Garcia-Ratés, M.; Becker, U.; Neese, F.: Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of Computational Chemistry 42 (27), pp. 1959 - 1973 (2021)

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 12 (38), pp. 12785 - 12793 (2021)

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 41 (9), pp. 922 - 939 (2020)

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 40 (20), pp. 1816 - 1828 (2019)