مقالات بحثية تمّ التفويض بإتاحتها للجميع - Rodolphe Polletمزيد من المعلومات
عدد المقالات البحثية غير المتاحة للجميع في أي موقع: 1
Magnetostructural dynamics with the extended broken symmetry formalism: Antiferromagnetic [2Fe-2S] complexes
NN Nair, E Schreiner, R Pollet, V Staemmler, D Marx
Journal of Chemical Theory and Computation 4 (8), 1174-1188, 2008
التفويضات: German Research Foundation
عدد المقالات البحثية المتاحة للجميع في موقع ما: 9
Ab initio simulation of a gadolinium-based magnetic resonance imaging contrast agent in aqueous solution
R Pollet, D Marx
The Journal of chemical physics 126 (18), 2007
التفويضات: German Research Foundation
Dynamical magnetostructural properties of Anabaena ferredoxin
E Schreiner, NN Nair, R Pollet, V Staemmler, D Marx
Proceedings of the National Academy of Sciences 104 (52), 20725-20730, 2007
التفويضات: German Research Foundation
AB INITIO Simulations of Desorption and Reactivity of Glycine at a Water-Pyrite Interface at “Iron-Sulfur World” Prebiotic Conditions
R Pollet, C Boehme, D Marx
Origins of Life and Evolution of Biospheres 36, 363-379, 2006
التفويضات: German Research Foundation
Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation
R Pollet, CS Bonnet, P Retailleau, P Durand, É Tóth
Inorganic Chemistry 56 (8), 4317-4323, 2017
التفويضات: Swiss Cancer League
An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd (III)(HPDO3A)(H2O)]
S Khan, R Pollet, R Vuilleumier, J Kowalewski, M Odelius
The Journal of Chemical Physics 147 (24), 2017
التفويضات: Swedish Research Council, European Commission
Reversible hydration of α-dicarbonyl compounds from ab initio metadynamics simulations: Comparison between pyruvic and glyoxylic acids in aqueous solutions
R Pollet, W Chin
The Journal of Physical Chemistry B 125 (11), 2942-2951, 2021
التفويضات: Agence Nationale de la Recherche
In silico Investigation of the Thermochemistry and Photoactivity of Pyruvic Acid in an Aqueous Solution of NaCl
R Pollet, W Chin
Chemistry–A European Journal 29 (55), e202302225, 2023
التفويضات: Agence Nationale de la Recherche
Unveiling the conformational diversity of succinic acid: Insights from IR spectroscopy and quantum chemical calculations
L da Silva Sa, A Camiruaga, L Barbu-Debus, JA Claus, M Goubet, ...
Low Temperature Physics 50 (9), 774-784, 2024
التفويضات: Agence Nationale de la Recherche
Excited state dynamics of normal dithienylethene molecules either isolated or deposited on an argon cluster
A Lietard, G Piani, R Pollet, B Soep, JM Mestdagh, L Poisson
Physical Chemistry Chemical Physics 24 (17), 10588-10598, 2022
التفويضات: Agence Nationale de la Recherche
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