Jean-Paul Malrieu

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics

Energy Transfer

Photodynamic Therapy

Top Venues

The journal of physical chemistry. A

Angewandte Chemie (International ed. in English)

Inorganic chemistry

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

Publications

Georges Trinquier, Grégoire David, Elohan Veillon, Jean-Paul Malrieu
On Entangled Singlet Pure Diradicals. The journal of physical chemistry. A (2024)
Georges Trinquier, Grégoire David, Elohan Veillon, Jean-Paul Malrieu
On Entangled Singlet Pure Diradicals. The journal of physical chemistry. A 128 (21) (2024)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part B. The March of Simulation, for Better or Worse. Angewandte Chemie (International ed. in English) 59 (32) (2020)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part A. Stage Setting. Angewandte Chemie (International ed. in English) 59 (31) (2020)
Roald Hoffmann, Jean-Paul Malrieu
Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part C. Toward Consilience. Angewandte Chemie (International ed. in English) 59 (33) (2020)
Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Ferté, Julien Paquier, Barthélémy Pradines, Roland Assaraf, Peter Reinhardt, Julien Toulouse, Pierrette Barbaresco, Nicolas Renon, Grégoire David, Jean-Paul Malrieu, Mickaël Véril, Michel Caffarel, Pierre-François Loos, Emmanuel Giner, Anthony Scemama
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of chemical theory and computation 15 (6) (2019)
Georges Trinquier, Jean-Paul Malrieu
Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar Sextets. The journal of physical chemistry. A 122 (4) (2018)
Frédéric Gendron, Jochen Autschbach, Jean-Paul Malrieu, Hélène Bolvin
Magnetic Coupling in the Ce(III) Dimer Ce2(COT)3. Inorganic chemistry 58 (1) (2018)
Georges Trinquier, Grégoire David, Jean-Paul Malrieu
Qualitative Views on the Polyradical Character of Long Acenes. The journal of physical chemistry. A 122 (34) (2018)
Justus Krüger, Frank Eisenhut, Dmitry Skidin, Thomas Lehmann, Dmitry A Ryndyk, Gianaurelio Cuniberti, Fátima García, José M Alonso, Enrique Guitián, Dolores Pérez, Diego Peña, Georges Trinquier, Jean-Paul Malrieu, Francesca Moresco, Christian Joachim
Electronic Resonances and Gap Stabilization of Higher Acenes on a Gold Surface. ACS nano 12 (8) (2018)