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Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex.
Angew Chem Int Ed Engl. 2016 Mar 14;55(12):3963-7. doi: 10.1002/anie.201511354. Epub 2016 Feb 17.
Angew Chem Int Ed Engl. 2016.
PMID: 26890339
Free article.
Ruthenium Carbon-Rich Group as a Redox-Switchable Metal Coupling Unit in Linear Trinuclear Complexes.
Di Piazza E, Boilleau C, Vacher A, Merahi K, Norel L, Costuas K, Roisnel T, Choua S, Turek P, Rigaut S.
Di Piazza E, et al. Among authors: boilleau c.
Inorg Chem. 2017 Dec 4;56(23):14540-14555. doi: 10.1021/acs.inorgchem.7b02288. Epub 2017 Nov 21.
Inorg Chem. 2017.
PMID: 29160703
Free article.
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Ab initio study of the influence of structural parameters on the potential energy surfaces of spin-crossover Fe(II) model compounds.
Boilleau C, Suaud N, Guihéry N.
Boilleau C, et al.
J Chem Phys. 2012 Dec 14;137(22):224304. doi: 10.1063/1.4768870.
J Chem Phys. 2012.
PMID: 23249000
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Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?
Labèguerie P, Boilleau C, Bastardis R, Suaud N, Guihéry N, Malrieu JP.
Labèguerie P, et al. Among authors: boilleau c.
J Chem Phys. 2008 Oct 21;129(15):154110. doi: 10.1063/1.2993263.
J Chem Phys. 2008.
PMID: 19045179
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Light-induced excited spin state trapping: ab initio study of the physics at the molecular level.
Suaud N, Bonnet ML, Boilleau C, Labèguerie P, Guihéry N.
Suaud N, et al. Among authors: boilleau c.
J Am Chem Soc. 2009 Jan 21;131(2):715-22. doi: 10.1021/ja805626s.
J Am Chem Soc. 2009.
PMID: 19072230
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A bottom-up valence bond derivation of excitation energies in 1D-like delocalized systems.
Kepenekian M, Robert V, Boilleau C, Malrieu JP.
Kepenekian M, et al. Among authors: boilleau c.
Phys Chem Chem Phys. 2012 Jan 28;14(4):1381-8. doi: 10.1039/c1cp23390d. Epub 2011 Dec 9.
Phys Chem Chem Phys. 2012.
PMID: 22159185
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Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study.
Barone V, Boilleau C, Cacelli I, Ferretti A, Prampolini G.
Barone V, et al. Among authors: boilleau c.
J Chem Theory Comput. 2013 Apr 9;9(4):1958-63. doi: 10.1021/ct400020x. Epub 2013 Mar 15.
J Chem Theory Comput. 2013.
PMID: 26583546
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Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study.
Barone V, Boilleau C, Cacelli I, Ferretti A, Monti S, Prampolini G.
Barone V, et al. Among authors: boilleau c.
J Chem Theory Comput. 2013 Jan 8;9(1):300-7. doi: 10.1021/ct300790c. Epub 2012 Nov 28.
J Chem Theory Comput. 2013.
PMID: 26589032
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