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Etude par spectroscopie laser femtoseconde d'un base de l'ADN : la cytosine en solution aqueuse

E. Renault , V. Carré , T. Gustavsson , D. Garzella , L. Nahon , et al.
Jean Monnet, P. Laporte, F. Salin. Systèmes Femtosecondes, Presses de l'Université, pp.403, 2001
Book sections hal-00136522v1
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Towards an atomistic understanding of disordered carbon electrode materials

Volker L Deringer , Céline Merlet , Yuchen Hu , Tae Hoon Lee , John A Kattirtzi , et al.
Chemical Communications, 2018, 54 (47), pp.5988-5991. ⟨10.1039/c8cc01388h⟩
Journal articles hal-01985588v1
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Geometries, electronic structures and physico-chemical properties of astatine species: An application of relativistic quantum mechanics

Dumitru-Claudiu Sergentu
Theoretical and/or physical chemistry. Université de Nantes, 2016. English. ⟨NNT : ⟩
Theses tel-02473250v1
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Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region

Romain Duwald , Johann Bosson , Simon Pascal , Stephane Grass , Francesco Zinna , et al.
Chemical Science, 2019, ⟨10.1039/C9SC05407C⟩
Journal articles hal-02397237v1
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Photostable orange-red fluorescent unsymmetrical diketopyrrolopyrrole–BF 2 hybrids

David Young , Mariusz Tasior , Adele D. Laurent , Łukasz Dobrzycki , Michał Cyrański , et al.
Journal of Materials Chemistry C, 2020, 8 (23), pp.7708-7717. ⟨10.1039/D0TC01202E⟩
Journal articles hal-03006491v1
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Computational Insights into Charge Storage Mechanisms of Supercapacitors

Kui Xu , Hui Shao , Zifeng Lin , Céline Merlet , Guang Feng , et al.
ENERGY & ENVIRONMENTAL MATERIALS, 2020, 3 (3), pp.235-246. ⟨10.1002/eem2.12124⟩
Journal articles hal-02955559v1
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On the Interplay between Charge‐Shift Bonding and Halogen Bonding

Serigne Sarr , Jérôme Graton , Gilles F Montavon , Julien Pilmé , Nicolas Galland
ChemPhysChem, 2020, ⟨10.1002/cphc.201901023⟩
Journal articles hal-02444757v1

Modeling pH-zone refining countercurrent chromatography: A dynamic approach

Alexis Kotland , Sébastien Chollet , Jean-Marie Autret , Catherine Diard , Luc Marchal , et al.
Journal of Chromatography A, 2015, 1391, pp.80-87. ⟨10.1016/j.chroma.2015.03.005⟩
Journal articles hal-01994995v1
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Accumulative Charge Separation Inspired by Photosynthesis

Yann Pellegrin , Leif Hammarström , Susanne Karlsson , Julien Boixel , Yann Pelegrin , et al.
Journal of the American Chemical Society, 2010, 132 (51), pp.17977-17979. ⟨10.1021/ja104809x⟩
Journal articles hal-03029846v1
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Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies

Marek Szczerba , Zenon Klapyta , Andrey G. Kalinichev
Applied Clay Science, 2014, 91-92, pp.87-97. ⟨10.1016/j.clay.2014.02.014⟩
Journal articles in2p3-01066243v1

Microstructure and crystallographic properties of Cu77Zn21 alloy under the effect of heat treatment

L. Babouri , K. Belmokre , A. Kabir , A. Abdelouas , R. Khettabi , et al.
Materials at High Temperatures, 2019, 36 (2), pp.165-172. ⟨10.1080/09603409.2018.1499243⟩
Journal articles hal-02278537v1

Identifying the Interactions That Allow Separation of O2 from N2 on the Open Iron Sites of Fe2(dobdc)

Pragya Verma , Rémi Maurice , Donald G. Truhlar
Journal of Physical Chemistry C, 2015, 119, pp.28499-28511. ⟨10.1021/acs.jpcc.5b10382⟩
Journal articles in2p3-01250172v1

Hydration-induced ground-state change of AtO+: A relativistic and multiconfigurational wave function theory study

D.-C. Sergentu , F. Réal , N. Galland , Rémi Maurice
TACC 2016, Aug 2016, Seattle, United States
Conference papers in2p3-01361872v1

Investigation of a new “N2S2O2” chelating agent with high Po(IV) affinity

Ali Younes , Gilles F Montavon , Sébastien G Gouin , Emy André-Joyaux , Roxane Peumery , et al.
Chemical Communications, 2017, 53 (48), pp.6492-6495. ⟨10.1039/C7CC03198J⟩
Journal articles hal-01536735v1
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Clay Swelling in Dry Supercritical Carbon Dioxide: Effects of Interlayer Cations on the Structure, Dynamics, and Energetics of CO2 Intercalation Probed by XRD, NMR and GCMD Simulations

Narasimhan Loganathan , Geoffrey M. Bowers , A. Ozgur Yazaydin , Herbert Todd Schaef , John Loring , et al.
Journal of Physical Chemistry C, 2018, 122 (8), pp.4391 - 4402. ⟨10.1021/acs.jpcc.7b12270⟩
Journal articles in2p3-01891525v1

New heteroleptic bis-phenanthroline copper(I) complexes with dipyridophenazine or imidazole fused phenanthroline ligands: spectral, electrochemical, and quantum chemical studies

Y. Pellegrin , M. Sandroni , E. Blart , A. Planchat , Michel Evain , et al.
Inorganic Chemistry, 2011, 50, pp.11309 - 11322. ⟨10.1021/ic2006343⟩
Journal articles hal-00725630v1

Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

Alejandro A. Franco
RSC Advances, 2013, 3 (32), pp.13027-13058. ⟨10.1039/C3RA23502E⟩
Journal articles hal-00838007v1

Polymer Electrolyte Fuel Cells: Science, Applications and Challenges

Alejandro A. Franco
Pan Stanford Publishing Pte. Ltd., 616 p., 2013, 9789814310826. ⟨10.4032/9789814364409⟩
Books hal-00839687v1

Internal energy distribution in electrospray ionization: Towards the evaluation of a thermal-like distribution from the multiplecollision model

David Rondeau , László Drahos , Károly Vékey
Rapid Communications in Mass Spectrometry, 2014, 28, pp.1273-1284. ⟨10.1002/rcm.6899⟩
Journal articles istex hal-01122008v1
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Effective bond orders from two-step spin-orbit coupling approaches: The I2, At2 , IO+, and AtO+ case studies

Rémi Maurice , Florent Réal , Andre Severo Pereira Gomes , Valérie Vallet , Gilles F Montavon , et al.
Journal of Chemical Physics, 2015, 142, pp.094305. ⟨10.1063/1.4913738⟩
Journal articles in2p3-01123856v1
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Scandium complexes : physico-chemical study and evaluation of stability in vitro and in vivo for nuclear medicine application

Rabha Kerdjoudj
Theoretical and/or physical chemistry. Ecole des Mines de Nantes, 2014. English. ⟨NNT : 2014EMNA0191⟩
Theses tel-01148405v1

Inverse versus normal dithienylethenes: computational investigation of the photocyclization reaction

A. Perrier , S. Aloïse , M. Olivucci , D. Jacquemin
Journal of Physical Chemistry Letters, 2013, 4, pp.2190 - 2196. ⟨10.1021/jz401009b⟩
Journal articles hal-00844385v1

The photochemistry of inverse dithienylethene switches understood

S. Aloïse , R. Yibin , I. Hamdi , G. Buntinx , Perrier A. , et al.
Physical Chemistry Chemical Physics, 2014, 16, pp.26762 - 26768. ⟨10.1039/c4cp03641g⟩
Journal articles hal-01140864v1

Tris(2,2,2-trifluoroethyl) phosphite as an electrolyte additive for high-voltage lithium-ion batteries using lithium-rich layered oxide cathode

J. Pires , A. Castets , L. Timperman , J. Santos-Peña , E. Dumont , et al.
Journal of Power Sources, 2015, 296, pp.413-425. ⟨10.1016/j.jpowsour.2015.07.065⟩
Journal articles hal-01560420v1

Tools for predicting the nature and magnitude of magnetic anisotropy in transition metal complexes: Application to Co(II) complexes

Benjamin Cahier , Rémi Maurice , Hélène Bolvin , Talal Mallah , Nathalie Guihéry
Magnetochemistry, 2016, 2, pp.31. ⟨10.3390/magnetochemistry2030031⟩
Journal articles in2p3-01351335v1

Versatile Approach Combining Theoretical and Experimental Aspects of Raman Spectroscopy To Investigate Battery Materials: The Case of the LiNi0.5Mn1.5O4 Spinel

Lucien Boulet-Roblin , Claire Villeveille , Philippe Borel , Cecile Tessier , Petr Novak , et al.
Journal of Physical Chemistry C, 2016, ⟨10.1021/acs.jpcc.6b04155⟩
Journal articles hal-01351352v1

Cation adsorption, hydrogen bonding structure and dynamics at the clay-water interface: MD simulations with new models of muscovite and montmorillonite

Narasimhan Loganathan , Brice F. Ngouana-Wakou , Andrey G. Kalinichev
Goldschmidt-2013 Conference, Geochemical Society, Aug 2013, Florence, Italy. pp.1535, ⟨10.1180/minmag.2013.077.5.12⟩
Conference papers in2p3-01577703v1

Cs+ adsorption on hydrated surfaces of illite, smectite, and interstratified illite/smectite clays: Molecular dynamics simulations

Andrey G. Kalinichev , N. Loganathan , Brice F. Ngouana-Wakou , Zongyuan Chen , Gilles F Montavon
6th International Conference "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement, Mar 2015, Brussels, Belgium
Conference poster in2p3-01577722v1

Structure and Hydrogen Bonding in Supercritical H2O-NaCl Solutions: IR and Raman Vibrational Spectroscopy vs Molecular Dynamics Simulations

Andrey G. Kalinichev
Journée solvatation dans les liquides, Université de Lille 1, Mar 2016, Lille, France
Conference papers in2p3-01577735v1

Hydrophobicity of smectite surfaces probed by molecular dynamics simulations

Marek Szczerba , Andrey G. Kalinichev
16th International Clay Conference, AIPEA, Jul 2017, Granada, Spain
Conference papers in2p3-01577740v1