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The Journal of Chemical Physics|June 15, 2022
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n ringsGrégoire David, Nadia Ben Amor, Tao Zeng, et al.
Nanoscale|April 22, 2021
A combined theoretical/experimental study highlighting the formation of carbides on Ru nanoparticles during CO hydrogenationIonut-Tudor Moraru, Luis M Martínez-Prieto, Yannick Coppel, et al.
Physical Chemistry Chemical Physics : PCCP|October 14, 2011
2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factorsIker del Rosal, Torsten Gutmann, Bernadeta Walaszek, et al.
Nanoscale|May 1, 2019
Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acidRoberto González-Gómez, Lucy Cusinato, Christian Bijani, et al.
Physical Chemistry Chemical Physics : PCCP|October 22, 2009
DFT 2H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experimentsIker del Rosal, Torsten Gutmann, Laurent Maron, et al.
Organic & Biomolecular Chemistry|July 5, 2008
Propensity for local folding induced by the urea fragment in short-chain oligomersLucile Fischer, Claude Didierjean, Franck Jolibois, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 27, 2016
Towards Magnetic Carbo-meric Molecular MaterialsCorentin Poidevin, Jean-Paul Malrieu, Georges Trinquier, et al.
Chemical Communications (Cambridge, England)|March 21, 2020
When organophosphorus ruthenium complexes covalently bind to ruthenium nanoparticles to form nanoscale hybrid materialsElena Martín Morales, Yannick Coppel, Pierre Lecante, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 17, 2011
Theoretical and experimental studies on the carbon-nanotube surface oxidation by nitric acid: interplay between functionalization and vacancy enlargementIann Gerber, Mustapha Oubenali, Revathi Bacsa, et al.
ACS Nano|September 11, 2018
Ultrathin Gold Nanowires with the Polytetrahedral Structure of Bulk ManganeseJorge A Vargas, Valeri Petkov, El Said A Nouh, et al.
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