Miquel Garcia-Ratés

Publication Activity (10 Years)

Years Active: 2019-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Transition Metal

Energy Transfer

Top Venues

Journal of computational chemistry

Chemical science

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Sinjini Bhattacharjee, Miho Isegawa, Miquel Garcia-Ratés, Frank Neese, Dimitrios A Pantazis
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) (2022)
Miquel Garcia-Ratés, Ute Becker, Frank Neese
Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. Journal of computational chemistry 42 (27) (2021)
Ahmet Altun, Miquel Garcia-Ratés, Frank Neese, Giovanni Bistoni
Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex. Chemical science 12 (38) (2021)
Miquel Garcia-Ratés, Frank Neese
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) (2019)
Miquel Garcia-Ratés, Frank Neese
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) (2019)