Aurélien de la Lande (Aurelien de la Lande)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 15

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. B

CNRS Délégation Ile-de-France Sud

Université Pierre et Marie Curie (PHD)

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

Affiliation History

CNRS Délégation Ile-de-France Sud Jan 01 2014

France

Chargé de Recherche 1st class, Permanent position :: Laboratoire de Chimie Physique, Université Paris-Sud-CNRS, Université Paris Saclay

CNRS Délégation Ile-de-France Sud Nov 09 2009 - Dec 31 2013

France

Chargé de Recherche 2nd class. Permanent position :: Laboratoire de Chimie Physique

Education History

Université Pierre et Marie Curie Oct 01 2004 - Sep 30 2007

France

PHD :: Laboratoire de Chimie Théorique

Publications

Damien Tolu, Dominique Guillaumont, Aurélien de la Lande
Irradiation of Plutonium Tributyl Phosphate Complexes by Ionizing Alpha Particles: A Computational Study. The journal of physical chemistry. A (2023)
Rika Tandiana, Karwan Ali Omar, Eleonora Luppi, Fabien Cailliez, Nguyen-Thi Van-Oanh, Carine Clavaguéra, Aurélien de la Lande
Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory. Journal of chemical theory and computation (2023)
Jean Deviers, Fabien Cailliez, Bernardo Zúñiga Gutiérrez, Daniel R Kattnig, Aurélien de la Lande
Ab initio derivation of flavin hyperfine interactions for the protein magnetosensor cryptochrome. Physical chemistry chemical physics : PCCP 24 (27) (2022)
Angela Parise, Giada Ciardullo, Mario Prejanò, Aurélien de la Lande, Tiziana Marino
On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study. Journal of chemical information and modeling 62 (20) (2022)
Fatemeh Fateminasab, Aurélien de la Lande, Reza Omidyan
Insights into the effect of distal histidine and water hydrogen bonding on NO ligation to ferrous and ferric heme: a DFT study. RSC advances 12 (8) (2022)
Feven Alemu Korsaye, Aurélien de la Lande, Ilaria Ciofini
Following the density evolution using real time density functional theory and density based indexes: Application to model push-pull molecules. Journal of computational chemistry 43 (22) (2022)
Aurélien de la Lande, Sergey A Denisov, Mehran Mostafavi
The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate. Physical chemistry chemical physics : PCCP 23 (37) (2021)
Zheng Pei, Qi Ou, Yuezhi Mao, Junjie Yang, Aurélien de la Lande, Felix Plasser, WanZhen Liang, Zhigang Shuai, Yihan Shao
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies. The journal of physical chemistry letters 12 (11) (2021)
Aurelio Alvarez-Ibarra, Angela Parise, Karim Hasnaoui, Aurélien de la Lande
The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations. Physical chemistry chemical physics : PCCP 22 (15) (2020)
Mohammad Aarabi, Satchin Soorkia, Gilles Grégoire, Michel Broquier, Aurélien de la Lande, Benoît Soep, Reza Omidyan, Niloufar Shafizadeh
Water binding to FeIII hemes studied in a cooled ion trap: characterization of a strong 'weak' ligand. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Nicolas le Poul, Benoit Colasson, Gregory D Thiabaud, Dany Jeanne Dit Fouque, Claudio Iacobucci, Antony Memboeuf, Bénédicte Douziech, Jan Řezáč, Thierry Prangé, Aurélien de la Lande, Olivia Reinaud, Yves Le Mest
Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic. Chemical science 9 (43) (2018)
Angela Parise, Aurelio Alvarez-Ibarra, Xiaojing Wu, Xiaodong Zhao, Julien Pilmé, Aurélien de la Lande
Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. The journal of physical chemistry letters 9 (4) (2018)
Xiaojing Wu, Carine Clavaguéra, Louis Lagardère, Jean-Philip Piquemal, Aurélien de la Lande
AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of chemical theory and computation 14 (5) (2018)
Xiaojing Wu, Jean-Marie Teuler, Fabien Cailliez, Carine Clavaguéra, Dennis R Salahub, Aurélien de la Lande
Simulating Electron Dynamics in Polarizable Environments. Journal of chemical theory and computation 13 (9) (2017)
David Mendive-Tapia, Etienne Mangaud, Thiago Firmino, Aurélien de la Lande, Michèle Desouter-Lecomte, Hans-Dieter Meyer, Fabien Gatti
Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions. The journal of physical chemistry. B 122 (1) (2017)

Aurélien de la Lande.css-eqlu8i{font-size:small;padding-left:4px;} (Aurelien de la Lande)

Publication Activity (10 Years)

Top Topics

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Aurélien de la Lande (Aurelien de la Lande)