Publikationen von Miquel Garcia-Ratés
Alle Typen
Zeitschriftenartikel (5)
2022
Zeitschriftenartikel
18 (3), S. 1619 - 1632 (2022)
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 2021
Zeitschriftenartikel
42 (27), S. 1959 - 1973 (2021)
Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of Computational Chemistry
Zeitschriftenartikel
12 (38), S. 12785 - 12793 (2021)
Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex. Chemical Science 2020
Zeitschriftenartikel
41 (9), S. 922 - 939 (2020)
Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme. Journal of Computational Chemistry 2019
Zeitschriftenartikel
40 (20), S. 1816 - 1828 (2019)
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