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Assessing the accuracy of new geminal-based approaches.
Tecmer P, Boguslawski K, Johnson PA, Limacher PA, Chan M, Verstraelen T, Ayers PW. Tecmer P, et al. Among authors: boguslawski k. J Phys Chem A. 2014 Oct 2;118(39):9058-68. doi: 10.1021/jp502127v. Epub 2014 Apr 30. J Phys Chem A. 2014. PMID: 24745368
Singlet ground state actinide chemistry with geminals.
Tecmer P, Boguslawski K, Ayers PW. Tecmer P, et al. Among authors: boguslawski k. Phys Chem Chem Phys. 2015 Jun 14;17(22):14427-36. doi: 10.1039/c4cp05293e. Phys Chem Chem Phys. 2015. PMID: 25974313
Orbital Entanglement in Bond-Formation Processes.
Boguslawski K, Tecmer P, Barcza G, Legeza Ö, Reiher M. Boguslawski K, et al. J Chem Theory Comput. 2013 Jul 9;9(7):2959-73. doi: 10.1021/ct400247p. Epub 2013 Jun 4. J Chem Theory Comput. 2013. PMID: 26583979
49 results