Artigo em revista |
- Fábris Kossoski; Pierre-François Loos. "State-Specific Configuration Interaction for Excited States". Journal of Chemical
Theory and Computation (2023): https://doi.org/10.1021/acs.jctc.3c00057.
10.1021/acs.jctc.3c00057
- Yann Damour; Raúl Quintero-Monsebaiz; Michel Caffarel; Denis Jacquemin; Fábris Kossoski; Anthony Scemama; Pierre-François
Loos. "Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality". Journal
of Chemical Theory and Computation (2023): https://doi.org/10.1021/acs.jctc.2c01111.
10.1021/acs.jctc.2c01111
- Mario Barbatti; Mattia Bondanza; Rachel Crespo-Otero; Baptiste Demoulin; Pavlo O. Dral; Giovanni Granucci; Fábris Kossoski;
et al. "Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles". Journal of Chemical Theory
and Computation (2022): https://doi.org/10.1021/acs.jctc.2c00804.
10.1021/acs.jctc.2c00804
- Ana I. Lozano; Fábris Kossoski; Francisco Blanco; Paulo Limão-Vieira; Márcio T. do N. Varella; Gustavo García. "Observation
of Transient Anions That Do Not Decay through Dissociative Electron Attachment: New Pathways for Radiosensitization". The
Journal of Physical Chemistry Letters (2022): https://doi.org/10.1021/acs.jpclett.2c01704.
10.1021/acs.jpclett.2c01704
- Fábris Kossoski; Yann Damour; Pierre-François Loos. "Hierarchy Configuration Interaction: Combining Seniority Number and Excitation
Degree". The Journal of Physical Chemistry Letters (2022): 4342-4349. https://doi.org/10.1021/acs.jpclett.2c00730.
10.1021/acs.jpclett.2c00730
- Alan Guilherme Falkowski; Romarly F. da Costa; Fábris Kossoski; Michael J. Brunger; Marco A. P. Lima. "Electronic excitation
of benzene by low energy electron impact and the role of higher lying Rydberg states". The European Physical Journal D
75 12 (2021): https://doi.org/10.1140/epjd/s10053-021-00326-x.
10.1140/epjd/s10053-021-00326-x
- Yann Damour; Mickaël Véril; Fábris Kossoski; Michel Caffarel; Denis Jacquemin; Anthony Scemama; Pierre-François Loos. "Accurate
full configuration interaction correlation energy estimates for five- and six-membered rings". The Journal of Chemical
Physics (2021): https://doi.org/10.1063/5.0065314.
10.1063/5.0065314
- Antoine Marie; Fábris Kossoski; Pierre-François Loos. "Variational coupled cluster for ground and excited states". The
Journal of Chemical Physics (2021): https://doi.org/10.1063/5.0060698.
10.1063/5.0060698
- Fábris Kossoski; Antoine Marie; Anthony Scemama; Michel Caffarel; Pierre-François Loos. "Excited States from State-Specific
Orbital-Optimized Pair Coupled Cluster". Journal of Chemical Theory and Computation (2021): https://doi.org/10.1021/acs.jctc.1c00348.
10.1021/acs.jctc.1c00348
- Mónica Mendes; Fábris Kossoski; Ana I. Lozano; João Pereira-da-Silva; Rodrigo Rodrigues; João Ameixa; Nykola C. Jones; Søren
V. Hoffmann; Filipe Ferreira da Silva. "Excited States of Bromopyrimidines Probed by VUV Photoabsorption Spectroscopy and
Theoretical Calculations". International Journal of Molecular Sciences 22 12 (2021): 6460-6460. https://doi.org/10.3390/ijms22126460.
10.3390/ijms22126460
- J. Pereira-da-Silva; M. Mendes; F. Kossoski; A. I. Lozano; R. Rodrigues; N. C. Jones; S. V. Hoffmann; F. Ferreira da Silva.
"Perfluoro effect on the electronic excited states of para-benzoquinone revealed by experiment and theory". Physical Chemistry
Chemical Physics (2021): https://doi.org/10.1039/D0CP05626J.
10.1039/D0CP05626J
- Julio Cesar Ruivo; Fábris Kossoski; Márcio T. do N. Varella. "Anion states of halocamphor molecules: insights into chirally
sensitive dissociative electron attachment". Physical Chemistry Chemical Physics (2021): https://doi.org/10.1039/D1CP02316K.
10.1039/D1CP02316K
- M. B. Kiataki; M. T. do N. Varella; M. H. F. Bettega; F. Kossoski. "Shape Resonances and Elastic Cross Sections in Electron
Scattering by CF3Br and CF3I". The Journal of Physical Chemistry A (2020): https://doi.org/10.1021/acs.jpca.0c07845.
10.1021/acs.jpca.0c07845
- Alan Guilherme Falkowski; Marco A. P. Lima; Fábris Kossoski. "Electronic excitation of ethanol by low-energy electron impact".
The Journal of Chemical Physics (2020): https://doi.org/10.1063/5.0008428.
10.1063/5.0008428
- G M Moreira; F Kossoski; M H F Bettega; R F da Costa. "Electronic excitation of the 3 B 2 state of thiophene molecule by low-energy
electron collisions". Journal of Physics B: Atomic, Molecular and Optical Physics (2020): https://doi.org/10.1088/1361-6455/ab6df7.
10.1088/1361-6455/ab6df7
- "The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry". The Journal of Chemical
Physics 152 13 (2020): 134110-134110. http://dx.doi.org/10.1063/1.5144267.
10.1063/1.5144267
- Leticia S. Maioli; Fábris Kossoski; Márcio H. F. Bettega. "Low-energy electron scattering by cyanamide: anion spectra and
dissociation pathways". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/D0CP00806K.
10.1039/D0CP00806K
- Fábris Kossoski; Mario Barbatti. "Nonadiabatic dynamics in multidimensional complex potential energy surfaces". Chemical
Science (2020): https://doi.org/10.1039/D0SC04197A.
10.1039/D0SC04197A
- A. I. Lozano; L. S. Maioli; B. Pamplona; J. Romero; M. Mendes; F. Ferreira da Silva; F. Kossoski; et al. "Selective bond breaking
of halothane induced by electron transfer in potassium collisions". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/D0CP02570D.
10.1039/D0CP02570D
- F. Kossoski; M. T. do N. Varella; M. Barbatti. "On-the-fly dynamics simulations of transient anions". The Journal of Chemical
Physics (2019): https://doi.org/10.1063/1.5130547.
10.1063/1.5130547
- R. F. da Costa; J. C. Ruivo; F. Kossoski; M. T. do N. Varella; M. H. F. Bettega; D. B. Jones; M. J. Brunger; M. A. P. Lima.
"An ab initio investigation for elastic and electronically inelastic electron scattering from para-benzoquinone". The Journal
of Chemical Physics (2018): https://doi.org/10.1063/1.5050622.
10.1063/1.5050622
- Fábris Kossoski; Mario Barbatti. "Nuclear Ensemble Approach with Importance Sampling". Journal of Chemical Theory and Computation
(2018): https://doi.org/10.1021/acs.jctc.8b00059.
10.1021/acs.jctc.8b00059
- D. B. Jones; R. F. da Costa; F. Kossoski; M. T. do N. Varella; M. H. F. Bettega; G. García; F. Blanco; et al. "Integral elastic,
vibrational-excitation, electronic-state excitation, ionization, and total cross sections for electron scattering from para-benzoquinone".
The Journal of Chemical Physics (2018): https://doi.org/10.1063/1.5028298.
10.1063/1.5028298
- D. B. Jones; R. F. da Costa; F. Kossoski; M. T. do N. Varella; M. H. F. Bettega; F. Ferreira da Silva; P. Limão-Vieira; et
al. "Electron-impact electronic-state excitation of para-benzoquinone". The Journal of Chemical Physics 148 12 (2018):
124312-124312. https://doi.org/10.1063/1.5023494.
10.1063/1.5023494
- Cornetta, L. M.; Kossoski, F.; Varella, M. T. do N.. "Transient anion spectra of the potential radiosensitizers 5-cyanateuracil
and 5-thiocyanateuracil". Journal of Chemical Physics 147 21 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000417497000029&KeyUID=WOS:000417497000029.
10.1063/1.5007050
- Kossoski, F.; Varella, M. T. do N.. "How does methylation suppress the electron-induced decomposition of 1-methyl-nitroimidazoles?".
Journal of Chemical Physics 147 16 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000414177600066&KeyUID=WOS:000414177600066.
10.1063/1.5005604
- Jones, D. B.; Blanco, F.; Garcia, G.; da Costa, R. F.; Kossoski, F.; Varella, M. T. do N.; Bettega, M. H. F.; et al. "Elastic
scattering and vibrational excitation for electron impact on&IT para&IT-benzoquinone". Journal of Chemical Physics
147 24 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000418896800020&KeyUID=WOS:000418896800020.
10.1063/1.5010831
- Kossoski, F.; Varella, M. T. do N.. "Precursor anion states in dissociative electron attachment to chlorophenol isomers".
Journal of Chemical Physics 145 4 (2016): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000381679800025&KeyUID=WOS:000381679800025.
10.1063/1.4959229
- Kossoski, F.; Kopyra, J.; Varella, M. T. do N.. "Anion states and fragmentation of 2-chloroadenine upon low-energy electron
collisions". Physical Chemistry Chemical Physics 17 43 (2015): 28958-28965. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000364024100054&KeyUID=WOS:000364024100054.
10.1039/c5cp04967a
- Kossoski, F.; Varella, M. T. do N.. "Negative ion states of 5-bromouracil and 5-iodouracil". Physical Chemistry Chemical
Physics 17 26 (2015): 17271-17278. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000356874000070&KeyUID=WOS:000356874000070.
10.1039/c5cp01475a
- Kopyra, J.; Abdoul-Carime, H.; Kossoski, F.; Varella, M. T. do N.. "Electron driven reactions in sulphur containing analogues
of uracil: the case of 2-thiouracil". Physical Chemistry Chemical Physics 16 45 (2014): 25054-25061. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000344464800044&KeyUID=WOS:000344464800044.
10.1039/c4cp03544e
- dos Santos, J. S.; Kossoski, F.; Varella, M. T. do N.. "Interaction of low-energy electrons with dimethyl sulfide and dimethyl
disulfide". Physical Review a 90 5 (2014): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000345414100008&KeyUID=WOS:000345414100008.
10.1103/PhysRevA.90.052713
- Kossoski, F.; Bettega, M. H. F.; Varella, M. T. do N.. "Shape resonance spectra of uracil, 5-fluorouracil, and 5-chlorouracil".
Journal of Chemical Physics 140 2 (2014): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000329925200030&KeyUID=WOS:000329925200030.
10.1063/1.4861589
- Kossoski, F.; Bettega, M. H. F.. "Low-energy electron scattering from the aza-derivatives of pyrrole, furan, and thiophene".
Journal of Chemical Physics 138 23 (2013): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000321012400020&KeyUID=WOS:000321012400020.
10.1063/1.4811218
- Kossoski, F.; Freitas, T. C.; Bettega, M. H. F.. "Resonances in electron collisions with C2H2Cl2 isomers". Journal of Physics
B-Atomic Molecular and Optical Physics 44 24 (2011): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000298239000006&KeyUID=WOS:000298239000006.
10.1088/0953-4075/44/24/245201
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