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Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a.
Pereira Rodrigues G, Lopes de Lima TM, de Andrade RB, Ventura E, do Monte SA, Barbatti M. Pereira Rodrigues G, et al. Among authors: do monte sa. J Phys Chem A. 2019 Mar 14;123(10):1953-1961. doi: 10.1021/acs.jpca.8b12482. Epub 2019 Mar 5. J Phys Chem A. 2019. PMID: 30786711
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Lischka H, Shepard R, Müller T, Szalay PG, Pitzer RM, Aquino AJA, Araújo do Nascimento MM, Barbatti M, Belcher LT, Blaudeau JP, Borges I Jr, Brozell SR, Carter EA, Das A, Gidofalvi G, González L, Hase WL, Kedziora G, Kertesz M, Kossoski F, Machado FBC, Matsika S, do Monte SA, Nachtigallová D, Nieman R, Oppel M, Parish CA, Plasser F, Spada RFK, Stahlberg EA, Ventura E, Yarkony DR, Zhang Z. Lischka H, et al. Among authors: do monte sa. J Chem Phys. 2020 Apr 7;152(13):134110. doi: 10.1063/1.5144267. J Chem Phys. 2020. PMID: 32268762
30 results