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G

Grégoire David

université de rennes, cnrs and insa rennes

14H指数
49论文数
865被引数
收录论文 20
发表时间
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Magneto-Optical Correlations and Optical Signatures of Low-Coordinated and Highly Symmetrical Tb(III) Complexes低配位和高对称性Tb(III)配合物的磁光相关性和光学特征
errInorganic Chemistry
IF4.7
err2026-05-28
err0
PREAI
errNimisha Jain; Grégoire David; Marie Cordier; Yan Suffren; Boris Le Guennic; Yann Sarazin; Kevin Bernot
err分享
err收藏
Modeling interactions between rubidium atom and magnetometer cell wall molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-01
err0
errOAAI
errDavid, Gregoire; Wibowo-Teale, Andrew M.; Rogers, David M.
err分享
err收藏
Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes
errCHEMICAL COMMUNICATIONS
IF4.2
err2024-01-01
err0
errOAAI
errDavid, Gregoire; Le Guennic, Boris; Reta, Daniel
err分享
err收藏
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-07
err7
PREAI
errDavid, Gregoire; Ferre, Nicolas; Le Guennic, Boris
err分享
err收藏
An Embedded Fragment Method for Molecules in Strong Magnetic Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-22
err5
errOAAI
errSpeake, Benjamin T.; Irons, Tom J. P.; Wibowo, Meilani; Johnson, Andrew G.; David, Gregoire; Teale, Andrew M.
err分享
err收藏
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n rings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-09
err4
errOAAI
errDavid, Gregoire; Ben Amor, Nadia; Zeng, Tao; Suaud, Nicolas; Trinquier, Georges; Malrieu, Jean-Paul
err分享
err收藏
Early remodeling of the colonic mucosa after allogeneic hematopoietic stem cells transplantation: An open-label controlled pilot study on 19 patients
errUNITED EUROPEAN GASTROENTEROLOGY JOURNAL
IF6.7
err2021-08-25
err2
errOAAI
errCoron, Emmanuel; Esnaud, Elise; Chevallier, Patrice; Bessard, Anne; Cuadrado-Robles, Enrique Perez; David, Gregoire; Bossard, Celine; Bregeon, Jeremy; Jarry, Anne; Neunlist, Michel; Queneherve, Lucille
err分享
err收藏
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-16
err19
errOAAI
errDavid, Gregoire; Irons, Tom J. P.; Fouda, Adam E. A.; Furness, James W.; Teale, Andrew M.
err分享
err收藏
Optimizing Molecular Geometries in Strong Magnetic Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-16
err31
errOAAI
errIrons, Tom J. P.; David, Gregoire; Teale, Andrew M.
err分享
err收藏
Consistent spin decontamination of broken-symmetry calculations of diradicals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-11-16
err15
PREAI
errDavid, Gregoire; Trinquier, Georges; Malrieu, Jean-Paul
err分享
err收藏
Improved evaluation of spin-polarization energy contributions using broken-symmetry calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-06
err15
errOAAI
errDavid, Gregoire; Ferre, Nicolas; Trinquier, Georges; Malrieu, Jean-Paul
err分享
err收藏
Challenges for large scale simulation: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err3
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao
err分享
err收藏
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-05-13
err134
errOAAI
errGarniron, Yann; Applencourt, Thomas; Gasperich, Kevin; Benali, Anouar; Ferte, Anthony; Paquier, Julien; Pradines, Barthelemy; Assaraf, Roland; Reinhardt, Peter; Toulouse, Julien; Barbaresco, Pierrette; Renon, Nicolas; David, Gregoire; Malrieu, Jean-Paul; Veril, Mickael; Caffarel, Michel; Loos, Pierre-Francois; Giner, Emmanuel; Scemama, Anthony
err分享
err收藏
IL-7 receptor influences anti-TNF responsiveness and T cell gut homing in inflammatory bowel disease
errJOURNAL OF CLINICAL INVESTIGATION
IF13.6
err2019-04-02
err96
errOAAI
errBelarif, Lyssia; Danger, Richard; Kermarrec, Laetitia; Nerriere-Daguin, Veronique; Pengam, Sabrina; Durand, Tony; Mary, Caroline; Kerdreux, Elise; Gauttier, Vanessa; Kucik, Aneta; Thepenier, Virginie; Martin, Jerome C.; Chang, Christie; Rahman, Adeeb; Salabert-Le Guen, Nina; Braudeau, Cecile; Abidi, Ahmed; David, Gregoire; Malard, Florent; Takoudju, Celine; Martinet, Bernard; Gerard, Nathalie; Neveu, Isabelle; Neunlist, Michel; Coron, Emmanuel; MacDonald, Thomas T.; Desreumaux, Pierre; Mai, Hoa-Le; Le Bas-Bernardet, Stephanie; Mosnier, Jean-Francois; Merad, Miriam; Josien, Regis; Brouard, Sophie; Soulillou, Jean-Paul; Blancho, Gilles; Bourreille, Arnaud; Naveilhan, Philippe; Vanhove, Bernard; Poirier, Nicolas
err分享
err收藏
Quantitative assessment of mucosal architecture using computer-based analysis of confocal laser endomicroscopy in inflammatory bowel diseases
errGASTROINTESTINAL ENDOSCOPY
IF7.5
err2019-03-01
err40
errOAAI
errQueneherve, Lucille; David, Gregoire; Bourreille, Arnaud; Hardouin, Jean Benoit; Rahmi, Gabriel; Neunlist, Michel; Bregeon, Jeremy; Coron, Emmanuel
err分享
err收藏
Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory
errINORGANIC CHEMISTRY
IF4.7
err2018-09-26
err38
errOAAI
errDavid, Gregoire; Wennmohs, Frank; Neese, Frank; Ferre, Nicolas
err分享
err收藏
What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-11-07
err19
PREAI
errDavid, Gregoire; Guillery, Nathalie; Ferre, Nicolas
err分享
err收藏
Scrutinizing Invisible Astatine: A Challenge for Modern Density Functionals
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-04-05
err40
PREAI
errSergentu, Dumitru-Claudiu; David, Gregoire; Montavon, Gilles; Maurice, Remi; Galland, Nicolas
err分享
err收藏
A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-02-09
err15
errOAAI
errGiner, E.; David, G.; Scemama, A.; Malrieu, J. P.
err分享
err收藏
Wavelength-Selective Magneto-Optical Diodes Based on Rare-Earth Chiral Molecular Crystals基于稀土手性分子晶体的波长选择性磁光二极管
errJournal of the American Chemical Society
IF15.6
err
err0
PREAI
errInkarat Atirojwanich; Maxime Aragon-Alberti; Langit Cahya Adi; Kevin Paillot; Mathieu Gascoin; Grégoire David; Boris Le Guennic; Geert L. J. A. Rikken; Cyrille Train; Fabrice Pointillart; Jeanne Crassous; Matteo Atzori
err分享
err收藏

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