Carmen Sousa (C Sousa)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 11

Top Topics

Density Functional Theory

Acute Heart Failure

Top Venues

The journal of physical chemistry. A

The journal of physical chemistry letters

Chemistry (Weinheim an der Bergstrasse, Germany)

The Journal of chemical physics

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

Publications

Carmen Sousa, Paul S Bagus, Francesc Illas
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors. The journal of physical chemistry. A 128 (5) (2024)
Carmen Sousa, Paul S Bagus, Francesc Illas
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors. The journal of physical chemistry. A 128 (5) (2024)
Carmen Sousa, Paul S Bagus, Francesc Illas
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors. The journal of physical chemistry. A 128 (5) (2024)
Carmen Sousa, Paul S Bagus, Francesc Illas
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors. The journal of physical chemistry. A (2024)
Ángel Morales-García, Francesc Viñes, Carmen Sousa, Francesc Illas
Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models. The journal of physical chemistry letters (2023)
Carmen Sousa, Aitor Sánchez-Mansilla, Ria Broer, T P Straatsma, Coen de Graaf
A Nonorthogonal Configuration Interaction Approach to Singlet Fission in Perylenediimide Compounds. The journal of physical chemistry. A (2023)
Xavier López, Aitor Sánchez-Mansilla, Carmen Sousa, Tjerk P Straatsma, Ria Broer, Coen de Graaf
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes. The journal of physical chemistry. A (2023)
T P Straatsma, Ria Broer, A Sánchez-Mansilla, Carmen Sousa, Coen de Graaf
GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions. Journal of chemical theory and computation 18 (6) (2022)
Noèlia Pueyo Bellafont, Eugene S Ilton, Carmen Sousa, Francesc Illas
Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case. The Journal of chemical physics 147 (2) (2018)
Carmen Sousa, Alex Domingo, Coen de Graaf
Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)
Carmen Sousa, Coen de Graaf, Andrii Rudavskyi, Ria Broer
Theoretical Study of the Light-Induced Spin Crossover Mechanism in [Fe(mtz)6]2+ and [Fe(phen)3]2. The journal of physical chemistry. A 121 (51) (2017)