Vincent Robert
Contact
Dr. Vincent Robert
Univ. Strasbourg
Institute of Chemistry, Laboratoire de chimie Quantique
1 Rue Blaise Pascal BP 296/R8
F-67008 Strasbourg
France
website,
mail
Expertise
Metals:
Fe,
Ni,
Co
Techniques: CASSCF + PT2, DDCI, localization approaches, model Hamiltonians
Resources: MOLCAS, CIPSI
Recent publications
S. Vela, M. Fumanal, J. Ribas-Arino, and V. Robert
"Towards an accurate and computationally-efficient modelling of Fe(ii )-based spin crossover materials"
Phys. Chem. Chem. Phys. 2015, 17, 16306-16314
[abstract]
DOI: 10.1039/C5CP02502H
A. Domingo, C. Angeli, C. de Graaf, and V. Robert
"Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+ /Fe2+ bimetallic complex"
J. Comput. Chem. 2015, 36, 861-869
[abstract]
DOI: 10.1002/jcc.23871
A. Domingo, D. Specklin, V. Rosa, S. Mameri, V. Robert, and R. Welter
"Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese, Iron, and Chromium Complexes Supported by Aroylhydrazone"
Eur. J. Inorg. Chem. 2014, 2014, 2552-2560
[abstract]
DOI: 10.1002/ejic.201402084
T. Krah, N.B. Amor, and V. Robert
"Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection"
Phys. Chem. Chem. Phys. 2014, 16, 9509-
[abstract]
DOI: 10.1039/C4CP00662C
M. Vérot, S.A. Borshch, and V. Robert
"Spin filtering in molecular junction: Magnetoresistance evaluation from wave-function calculations"
J. Chem. Phys. 2013, 138, 094105-
[abstract]
DOI: 10.1063/1.4793318
