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López X, Sánchez-Mansilla A, Sousa C, Straatsma TP, Broer R, de Graaf C.López X, et al. Among authors: broer r.J Phys Chem A. 2023 Dec 21;127(50):10717-10731. doi: 10.1021/acs.jpca.3c05998. Epub 2023 Dec 12.J Phys Chem A. 2023.PMID: 38084088Free PMC article.
Sousa C, de Graaf C, Rudavskyi A, Broer R.Sousa C, et al. Among authors: broer r.J Phys Chem A. 2017 Dec 28;121(51):9720-9727. doi: 10.1021/acs.jpca.7b10687. Epub 2017 Dec 15.J Phys Chem A. 2017.PMID: 29190099
Sousa C, Sánchez-Mansilla A, Broer R, Straatsma TP, de Graaf C.Sousa C, et al. Among authors: broer r.J Phys Chem A. 2023 Nov 30;127(47):9944-9958. doi: 10.1021/acs.jpca.3c04975. Epub 2023 Nov 14.J Phys Chem A. 2023.PMID: 37964533Free PMC article.
Straatsma TP, Broer R, Sánchez-Mansilla A, Sousa C, de Graaf C.Straatsma TP, et al. Among authors: broer r.J Chem Theory Comput. 2022 Jun 14;18(6):3549-3565. doi: 10.1021/acs.jctc.2c00266. Epub 2022 May 31.J Chem Theory Comput. 2022.PMID: 35640094
Sousa C, de Graaf C, Rudavskyi A, Broer R, Tatchen J, Etinski M, Marian CM.Sousa C, et al. Among authors: broer r.Chemistry. 2013 Dec 16;19(51):17541-51. doi: 10.1002/chem.201302992. Epub 2013 Nov 7.Chemistry. 2013.PMID: 24203780
Rudavskyi A, Sousa C, de Graaf C, Havenith RW, Broer R.Rudavskyi A, et al. Among authors: broer r.J Chem Phys. 2014 May 14;140(18):184318. doi: 10.1063/1.4875695.J Chem Phys. 2014.PMID: 24832281
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: broer r.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: 37216210Free PMC article.