Éric Brémond (Eric Brémond, E Brémond)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 35

Top Venues

Journal of chemical theory and computation

Journal of computational chemistry

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Université de Paris

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

Affiliation History

Université de Paris Oct 01 2017

France

Associate Professor :: ITODYS

Publications

Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzère, Vincent Tognetti, Laurent Joubert
Predicting redox potentials by graph-based machine learning methods. Journal of computational chemistry (2024)
Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzère, Vincent Tognetti, Laurent Joubert
Predicting redox potentials by graph-based machine learning methods. Journal of computational chemistry 45 (28) (2024)
Eva Vaněčková, Mustapha Dahmane, Jéremy Forté, Sawsen Cherraben, Xuan-Qui Pham, Romana Sokolová, Éric Brémond, Magdaléna Hromadová, Philippe P Lainé
Are Redox-Active Centers Bridged by Saturated Flexible Linkers Systematically Electrochemically Independent? Angewandte Chemie (International ed. in English) (2024)
Éric Brémond, Ilaria Ciofini, Frédéric Labat, Vincent Tognetti
Preface of Carlo Adamo's virtual special issue. Journal of computational chemistry (2024)
Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzère, Vincent Tognetti, Laurent Joubert
Predicting redox potentials by graph-based machine learning methods. Journal of computational chemistry 45 (28) (2024)
Abir Kebabsa, François Maurel, Éric Brémond
Boosting the Modeling of Infrared and Raman Spectra of Bulk Phase Chromophores with Machine Learning. Journal of chemical theory and computation (2024)
Eva Vaněčková, Mustapha Dahmane, Jéremy Forté, Sawsen Cherraben, Xuan-Qui Pham, Romana Sokolová, Éric Brémond, Magdaléna Hromadová, Philippe P Lainé
Are Redox-Active Centers Bridged by Saturated Flexible Linkers Systematically Electrochemically Independent? Angewandte Chemie (International ed. in English) 63 (31) (2024)
Éric Brémond, Ilaria Ciofini, Frédéric Labat, Vincent Tognetti
Preface of Carlo Adamo's virtual special issue. Journal of computational chemistry 45 (25) (2024)
Hanwei Li, Lorenzo Briccolani-Bandini, Bernardino Tirri, Gianni Cardini, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set. The journal of physical chemistry. A 128 (31) (2024)
Eva Vaněčková, Mustapha Dahmane, Jéremy Forté, Sawsen Cherraben, Xuan-Qui Pham, Romana Sokolová, Éric Brémond, Magdaléna Hromadová, Philippe P Lainé
Are Redox-Active Centers Bridged by Saturated Flexible Linkers Systematically Electrochemically Independent? Angewandte Chemie (International ed. in English) 63 (31) (2024)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J Frisch, Carlo Adamo
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem. Physical chemistry chemical physics : PCCP 26 (10) (2024)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J Frisch, Carlo Adamo
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem. Physical chemistry chemical physics : PCCP (2024)
Hanwei Li, Lorenzo Briccolani-Bandini, Bernardino Tirri, Gianni Cardini, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set. The journal of physical chemistry. A (2024)
Florent Barbault, Éric Brémond, Julien Rey, Pierre Tuffery, François Maurel
DockSurf: A Molecular Modeling Software for the Prediction of Protein/Surface Adhesion. Journal of chemical information and modeling (2023)
Lorenzo Briccolani-Bandini, Éric Brémond, Marco Pagliai, Gianni Cardini, Ilaria Ciofini, Carlo Adamo
Concerted versus stepwise proton transfer reactions in the [2, 2'-bipyridyl]-3-3'-diol molecule: A static and dynamic ab-initio investigation. Journal of computational chemistry (2023)
María Eugenia Sandoval-Salinas, Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions. The Journal of chemical physics 158 (4) (2023)
Éric Brémond, Marika Savarese, Nadia Rega, Ilaria Ciofini, Carlo Adamo
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics. Journal of chemical theory and computation 18 (3) (2022)
Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
Stability of the polyynic form of C 18 , C 22 , C 26 , and C 30 nanorings: a challenge tackled by range-separated double-hybrid density functionals. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Éric Brémond, Hanwei Li, Juan Carlos Sancho-García, Carlo Adamo
Double Hybrids and Noncovalent Interactions: How Far Can We Go? The journal of physical chemistry. A 126 (16) (2022)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Pairing double hybrid functionals with a tailored basis set for an accurate thermochemistry of hydrocarbons. RSC advances 11 (42) (2021)
Éric Brémond, Alistar Ottochian, Ángel José Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J Frisch, Juan Carlos Sancho-García, Carlo Adamo
Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. Journal of computational chemistry 42 (14) (2021)
Alexis Gosset, Štěpánka Nováková Lachmanová, Sawsen Cherraben, Gildas Bertho, Jérémy Forté, Christian Perruchot, Henri-Pierre Jacquot de Rouville, Lubomír Pospíšil, Magdaléna Hromadová, Éric Brémond, Philippe P Lainé
On the Supra-LUMO Interaction: Case Study of a Sudden Change of Electronic Structure as a Functional Emergence. Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
Éric Brémond, Vincent Tognetti, Henry Chermette, Juan Carlos Sancho-García, Laurent Joubert, Carlo Adamo
Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew's Ladder of Density-Functional Approximations. Journal of chemical theory and computation 18 (1) (2021)
Hanwei Li, Bernardino Tirri, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo Approach. The Journal of organic chemistry 86 (8) (2021)
Marika Savarese, Éric Brémond, Ilaria Ciofini, Carlo Adamo
Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study. Journal of chemical theory and computation 16 (6) (2020)
John S Lomas, Robert E Rosenberg, Éric Brémond
Cooperativity in a cycloalkane-1,2/1,3-polyol corona: Topological hydrogen bonding in 1,2-diol motifs. Magnetic resonance in chemistry : MRC 58 (10) (2020)
Johannes Zirzlmeier, Stephen Schrettl, Jan C Brauer, Emmanuel Contal, Laurent Vannay, Éric Brémond, Eike Jahnke, Dirk Michael Guldi, Clémence Corminbœuf, Rik R Tykwinski, Holger Frauenrath
Optical gap and fundamental gap of oligoynes and carbyne. Nature communications 11 (1) (2020)
Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximations. The Journal of chemical physics 151 (21) (2019)
Juan Sanz Garcı A, Éric Brémond, Marco Campetella, Ilaria Ciofini, Carlo Adamo
Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals. Journal of chemical theory and computation 15 (5) (2019)
Éric Brémond, Ilaria Ciofini, Juan Carlos Sancho-García, Carlo Adamo
Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C60) Dimer and Isomers as Test Cases. The journal of physical chemistry. A 123 (46) (2019)
Ángel José Pérez-Jiménez, Éric Brémond, Carlo Adamo, Juan Carlos Sancho-García
Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH models. The Journal of chemical physics 149 (4) (2018)
Éric Brémond, Marika Savarese, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, Carlo Adamo
Range-Separated Double-Hybrid Functional from Nonempirical Constraints. Journal of chemical theory and computation 14 (8) (2018)
Éric Brémond, Marika Savarese, Carlo Adamo, Denis Jacquemin
Accuracy of TD-DFT Geometries: A Fresh Look. Journal of chemical theory and computation 14 (7) (2018)
Éric Brémond, Marika Savarese, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, Carlo Adamo
Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases. Journal of chemical theory and computation 13 (11) (2017)
Marika Savarese, Ciro Achille Guido, Éric Brémond, Ilaria Ciofini, Carlo Adamo
Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors. The journal of physical chemistry. A 121 (40) (2017)

Éric Brémond.css-eqlu8i{font-size:small;padding-left:4px;} (Eric Brémond, E Brémond)

Publication Activity (10 Years)

Top Topics

Top Venues

Éric Brémond (Eric Brémond, E Brémond)