Publications of Miquel Garcia-Ratés

Journal Article (4)

2021
Journal Article
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.
Journal Article
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
Journal Article
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
Journal Article
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.
Go to Editor View