An official website of the United States government
The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before
sharing sensitive information, make sure you’re on a federal
government site.
The site is secure.
The https:// ensures that you are connecting to the
official website and that any information you provide is encrypted
and transmitted securely.
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.
Rudavskyi A, Havenith RW, Broer R, de Graaf C, Sousa C.Rudavskyi A, et al. Among authors: broer r.Dalton Trans. 2013 Oct 1;42(41):14702-9. doi: 10.1039/c3dt52027g.Dalton Trans. 2013.PMID: 24048174
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
Maurice R, Pradipto AM, Guihéry N, Broer R, de Graaf C.Maurice R, et al. Among authors: broer r.J Chem Theory Comput. 2010 Oct 12;6(10):3092-101. doi: 10.1021/ct100329n.J Chem Theory Comput. 2010.PMID: 26616771
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