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Page 1
Pressure-dependent X-ray diffraction of the multiferroics RMn2O5.
Peng W, Balédent V, Lepetit MB, Vaunat A, Rebolini E, Greenblatt M, Foury-Leylekian P. Peng W, et al. Among authors: lepetit mb. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Aug 1;75(Pt 4):687-696. doi: 10.1107/S2052520619007844. Epub 2019 Jul 19. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019. PMID: 32830724
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.
Li Manni G, Fdez Galván I, Alavi A, Aleotti F, Aquilante F, Autschbach J, Avagliano D, Baiardi A, Bao JJ, Battaglia S, Birnoschi L, Blanco-González A, Bokarev SI, Broer R, Cacciari R, Calio PB, Carlson RK, Carvalho Couto R, Cerdán L, Chibotaru LF, Chilton NF, Church JR, Conti I, Coriani S, Cuéllar-Zuquin J, Daoud RE, Dattani N, Decleva P, de Graaf C, Delcey MG, De Vico L, Dobrautz W, Dong SS, Feng R, Ferré N, Filatov Gulak M, Gagliardi L, Garavelli M, González L, Guan Y, Guo M, Hennefarth MR, Hermes MR, Hoyer CE, Huix-Rotllant M, Jaiswal VK, Kaiser A, Kaliakin DS, Khamesian M, King DS, Kochetov V, Krośnicki M, Kumaar AA, Larsson ED, Lehtola S, Lepetit MB, Lischka H, López Ríos P, Lundberg M, Ma D, Mai S, Marquetand P, Merritt ICD, Montorsi F, Mörchen M, Nenov A, Nguyen VHA, Nishimoto Y, Oakley MS, Olivucci M, Oppel M, Padula D, Pandharkar R, Phung QM, Plasser F, Raggi G, Rebolini E, Reiher M, Rivalta I, Roca-Sanjuán D, Romig T, Safari AA, Sánchez-Mansilla A, Sand AM, Schapiro I, Scott TR, Segarra-Martí J, Segatta F, Sergentu DC, Sharma P, Shepard R, Shu Y, Staab JK, Straatsma TP, Sørensen LK, Tenorio BNC, Truhlar DG, Ungur L, Vacher M, Veryazov V, Voß TA, Weser O, Wu D, Yan… See abstract for full author list ➔ Li Manni G, et al. Among authors: lepetit mb. J Chem Theory Comput. 2023 Oct 24;19(20):6933-6991. doi: 10.1021/acs.jctc.3c00182. Epub 2023 May 22. J Chem Theory Comput. 2023. PMID: 37216210 Free PMC article.
An ab initio study of magneto-electric coupling of YMnO3.
Varignon J, Petit S, Gellé A, Lepetit MB. Varignon J, et al. Among authors: lepetit mb. J Phys Condens Matter. 2013 Dec 11;25(49):496004. doi: 10.1088/0953-8984/25/49/496004. Epub 2013 Nov 6. J Phys Condens Matter. 2013. PMID: 24196980
Large increase of the curie temperature by orbital ordering control.
Sadoc A, Mercey B, Simon C, Grebille D, Prellier W, Lepetit MB. Sadoc A, et al. Among authors: lepetit mb. Phys Rev Lett. 2010 Jan 29;104(4):046804. doi: 10.1103/PhysRevLett.104.046804. Epub 2010 Jan 29. Phys Rev Lett. 2010. PMID: 20366729
Interface effects in perovskite thin films.
Lepetit MB, Mercey B, Simon C. Lepetit MB, et al. Phys Rev Lett. 2012 Feb 24;108(8):087202. doi: 10.1103/PhysRevLett.108.087202. Epub 2012 Feb 22. Phys Rev Lett. 2012. PMID: 22463563
23 results