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Electronic excitation of ethanol by low-energy electron impact
Falkowski, Alan Guilherme, 1995-; Lima, Marco Aurélio Pinheiro, 1957-; Kossoski, Fábris, 1988-Agradecimentos: A.G.F. and M.A.P.L. acknowledge support from the Brazilian agency Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq). This research used the computing resources and assistance of the John David Rogers Computing Center (CCJDR) in the Institute of Physics "Gleb Wataghin," University of Campinas. F.K. and M.A.P.L. acknowledge funding from the São Paulo Research Foundation (FAPESP)...
Nuclear ensemble approach with importance sampling
Kossoski, Fábris, 1988-Agradecimentos: F.K. acknowledges financial support from Sao Paulo Research Foundation (FAPESP), under grant No. 2016/21880-7. M.B.'s work was supported by Excellence Initiative of Aix-Marseille University (A*MIDEX) and the project Equip@Meso (ANR-10-EQPX-29-01), both funded by the French Government "Investissements d'Avenir" program. M.B. also acknowledges funding from the WSPLIT project (ANR-17-CE05-0005-01);...
An ab initio investigation for elastic and electronically inelastic electron sc...
Costa, Romarly Fernandes da, 1971-; Kossoski, Fábris, 1988-; Lima, Marco Aurélio Pinheiro, 1957-Agradecimentos: M.A.P.L., M.T.d.N.V. (Grant ID No. 305672/2014-2), R.F.d.C. (Grant ID No. 313094/2017-9), J.C.R. (Grant ID No. 153377/2016-0), and M.H.F.B. (Grant ID No. 306581/2017-5) all acknowledge financial support from the Brazilian agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq). These authors also wish to thank computational support from Centro de Computacao John David Rogers ...
Integral elastic, vibrational-excitation, electronic-state excitation, ionizati...
Costa, Romarly Fernandes da, 1971-; Kossoski, Fábris, 1988-; Lima, Marco Aurélio Pinheiro, 1957-Agradecimentos: This study was partially supported by the Australian Research Council (ARC) through Grant No. DP160120787. It was also partially supported by the Spanish Ministry MINECO (Project No. FIS2016-80440), the COST Action (No. CM301), and the ITN-Marie Curie (No. ARGENT-608163) European Union programme. M.A.P.L., M.T.do.N.V. (Grant I.D. No. 305672/2014-2), R.F.da.C., and M.H.F.B. all thank CNPq for fin...
Electron-impact electronic-state excitation of para-benzoquinone
Costa, Romarly Fernandes da, 1971-; Kossoski, Fábris, 1988-; Lima, Marco Aurélio Pinheiro, 1957-Agradecimentos: This work was partially supported by the Australian Research Council (ARC) through Grant No. DP160120787. It was also partially supported by the Spanish Ministry MINECO (Project No. FIS2016-80440), the COST Action (CM301), and ITN-Marie Curie (ARGENT-608163) European Union programmes. M.A.P.L., M.T.d.N.V. (Grant I.D. 305672/2014-2), R.F.d.C., and M.H.F.B. all acknowledge financial support from C...
Transient anion spectra of the potential radiosensitizers 5-cyanateuracil and 5...
Kossoski, Fábris, 1988-Abstract: We report on the low energy anion spectra of 5-cyanateuracil (5-OCNU) and 5-thiocyanateouracil (5-SCNU), which have been the suggested potential radiosensitizers for use in cancer therapy [L. Chomicz et al., J. Phys. Chem. Lett. 4, 2853-2857 (2013)]. Employing bound state and scattering calculations, we obtained, for both molecules, a dipole bound state, a pi* valence bound state, and four pi* resonan...
How does methylation suppress the electron-induced decomposition of 1-methyl-ni...
Kossoski, Fábris, 1988-Agradecimentos: F.K. acknowledges financial support from São Paulo Research Foundation (FAPESP), under Grant No. 2015/23792-5. M.T. do N.V. acknowledges financial support from FAPESP (Grant No. 2014/10012-9) and also from the Brazilian National Council for Scientific and Technological Development (CNPq), Grant No. 305672/2014-2. This work used computational resources from LCCA-USP; Abstract: The efficient decom...
Precursor anion states in dissociative electron attachment to chlorophenol isomers
Kossoski, Fábris, 1988-Agradecimentos: F.K. acknowledges financial support from São Paulo Research Foundation (FAPESP) under Grant No. 2015/23792-5. M.T.doN.V. acknowledges financial support from FAPESP and also from Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq). This work employed computational resources from LCCA-USP and CENAPAD-SP; Abstract: We report a theoretical study on low-energy (<10 eV) elastic electr...