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 2022, 18, 1619–1632.

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.

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.

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.

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.