Carlos E V de Moura (C E V de Moura)

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 9

Top Topics

Room Temperature

Diffusion Weighted

Molecular Dynamics

Perovskite Solar Cells

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Journal of molecular modeling

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

Publications

Carlos E V de Moura, Alexander Yu Sokolov
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra. The journal of physical chemistry. A 128 (28) (2024)
Nicholas P Gaba, Carlos E V de Moura, Rajat Majumder, Alexander Yu Sokolov
Simulating transient X-ray photoelectron spectra of Fe(CO) 5 and its photodissociation products with multireference algebraic diagrammatic construction theory. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Nicholas P Gaba, Carlos E V de Moura, Rajat Majumder, Alexander Yu Sokolov
Simulating transient X-ray photoelectron spectra of Fe(CO) 5 and its photodissociation products with multireference algebraic diagrammatic construction theory. Physical chemistry chemical physics : PCCP (2024)
Carlos E V de Moura, Alexander Yu Sokolov
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra. The journal of physical chemistry. A (2024)
Carlos E V de Moura, J Laurent, J Bozek, Marc Briant, Pierre Çarçabal, D Cubaynes, Niloufar Shafizadeh, M Simon, B Soep, Ralph Püttner, Gildas Goldsztejn
Experimental and theoretical study of resonant core-hole spectroscopies of gas-phase free-base phthalocyanine. Physical chemistry chemical physics : PCCP (2023)
Amanda D Torres, Carlos E V de Moura, Ricardo Rodrigues Oliveira, Alexandre Braga Rocha
Comparison among several vibronic coupling methods. Journal of molecular modeling 28 (9) (2022)
Carlos E V de Moura, Alexander Yu Sokolov
Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Carlos E V de Moura, Alexander Yu Sokolov
Correction: Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Jessica B Martins, Carlos E V de Moura, Gildas Goldsztejn, Oksana Travnikova, Renaud Guillemin, Iyas Ismail, Loïc Journel, Dimitrios Koulentianos, Mario Barbatti, Alexsandre F Lago, Denis Céolin, Maria Luiza M Rocco, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Tatiana Marchenko
Electron delocalisation in conjugated sulfur heterocycles probed by resonant Auger spectroscopy. Physical chemistry chemical physics : PCCP 24 (14) (2022)