Fábris Kossoski

Publications

Article dans une revue (30)

Vacuum ultraviolet spectroscopy of pyrimidine derivatives: the effect of halogenation Fábris Kossoski,Mónica Mendes,Ana Lozano,Rodrigo Rodrigues,Nykola Joneset al. Physical Chemistry Chemical Physics, 2025, 27 (18), pp.9687-9701. ⟨10.1039/D5CP00198F⟩ Article dans une revue hal-05085252v1
Complex Absorbing Potential Green’s Function Methods for Resonances Loris Burth,Fábris Kossoski,Pierre-Francois Loos Journal of Chemical Theory and Computation, 2025, 21 (22), pp.11463-11480. ⟨10.1021/acs.jctc.5c01164⟩ Article dans une revue hal-05467867v1
State-Specific Coupled-Cluster Methods for Excited States Yann Damour,Anthony Scemama,Denis Jacquemin,Fábris Kossoski,Pierre-François Loos Journal of Chemical Theory and Computation, 2024, 20 (10), pp.4129-4145. ⟨10.1021/acs.jctc.4c00034⟩ Article dans une revue hal-04387158v1
Low-Energy Electron Interactions with Methyl-p-benzoquinone: A Study of Negative Ion Formation Jiakuan Chen,Andrzej Pelc,João Ameixa,Fábris Kossoski,Stephan Denifl ACS Omega, 2024, 9 (36), pp.38032-38043. ⟨10.1021/acsomega.4c04899⟩ Article dans une revue hal-04708892v1
Reference Energies for Double Excitations: Improvement and Extension Fábris Kossoski,Martial Boggio-Pasqua,Pierre-François Loos,Denis Jacquemin Journal of Chemical Theory and Computation, 2024, 20 (13), pp.5655-5678. ⟨10.1021/acs.jctc.4c00410⟩ Article dans une revue hal-04526063v1
Selected Configuration Interaction for Resonances Yann Damour,Anthony Scemama,Fábris Kossoski,Pierre-François Loos Journal of Physical Chemistry Letters, 2024, 15, pp.8296-8305. ⟨10.1021/acs.jpclett.4c02060⟩ Article dans une revue hal-04645813v1
State-Specific Configuration Interaction for Excited States Fábris Kossoski,Pierre-François Loos Journal of Chemical Theory and Computation, 2023, 19 (8), pp.2258-2269. ⟨10.1021/acs.jctc.3c00057⟩ Article dans une revue hal-03843259v1
Reference Vertical Excitation Energies for Transition Metal Compounds Denis Jacquemin,Fábris Kossoski,Franck Gam,Martial Boggio-Pasqua,Pierre-François Loos Journal of Chemical Theory and Computation, 2023, 19 (23), pp.8782-8800. ⟨10.1021/acs.jctc.3c01080⟩ Article dans une revue hal-04224542v1
Ground-and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality Yann Damour,Raúl Quintero-Monsebaiz,Michel Caffarel,Denis Jacquemin,Fábris Kossoskiet al. Journal of Chemical Theory and Computation, 2023, 19 (1), pp.221-234. ⟨10.1021/acs.jctc.2c01111⟩ Article dans une revue hal-03844802v1
Seniority and Hierarchy Configuration Interaction for Radicals and Excited States Fábris Kossoski,Pierre-François Loos Journal of Chemical Theory and Computation, 2023, 19 (23), pp.8654-8670. ⟨10.1021/acs.jctc.3c00946⟩ Article dans une revue hal-04189859v1
Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers Ana Lozano,Lidia Álvarez,Adrián García-Abenza,Carlos Guerra,Fábris Kossoskiet al. International Journal of Molecular Sciences, 2023, 24 (15), pp.12182. ⟨10.3390/ijms241512182⟩ Article dans une revue hal-04202646v1
Electron impact electronic excitation of benzene: Theory and experiment Alan Falkowski,Romarly da Costa,Marco Lima,Alexi de A. Cadena,Ronald Pocorobaet al. The Journal of Chemical Physics, 2023, 159 (19), ⟨10.1063/5.0173024⟩ Article dans une revue hal-04429491v1
Cross sections for elastic electron scattering by benzene at low and intermediate energies Alexi de A. Cadena,Alan Falkowski,Ronald Pocoroba,Regan Jones,Mahak Mathuret al. Physical Review A, 2022, 106 (6), pp.062825. ⟨10.1103/PhysRevA.106.062825⟩ Article dans une revue hal-03923809v1
Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree Fábris Kossoski,Yann Damour,Pierre-Francois Loos Journal of Physical Chemistry Letters, 2022, 13 (19), pp.4342-4349. ⟨10.1021/acs.jpclett.2c00730⟩ Article dans une revue hal-03607673v1
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles Mario Barbatti,Mattia Bondanza,Rachel Crespo-Otero,Baptiste Demoulin,Pavlo O Dralet al. Journal of Chemical Theory and Computation, 2022, 18 (11), pp.6851-6865. ⟨10.1021/acs.jctc.2c00804⟩ Article dans une revue hal-03797941v1
Observation of Transient Anions which Do Not Decay through Dissociative Electron Attachment: New Pathways for Radiosensitization Ana I Lozano,Fábris Kossoski,Francisco Blanco,Paulo Limão-Vieira,Márcio Varellaet al. Journal of Physical Chemistry Letters, 2022, 13 (30), pp.7001-7008. ⟨10.1021/acs.jpclett.2c01704⟩ Article dans une revue hal-03818091v1
Variational coupled cluster for ground and excited states Antoine Marie,Fábris Kossoski,Pierre-Francois Loos The Journal of Chemical Physics, 2021, 155 (10), pp.104105. ⟨10.1063/5.0060698⟩ Article dans une revue hal-03266632v1
Excited States of Bromopyrimidines Probed by VUV Photoabsorption Spectroscopy and Theoretical Calculations Mónica Mendes,Fábris Kossoski,Ana I. Lozano,João Pereira-Da-Silva,Rodrigo Rodrigueset al. International Journal of Molecular Sciences, 2021, 22 (12), pp.6460. ⟨10.3390/ijms22126460⟩ Article dans une revue hal-03281165v1
Accurate full configuration interaction correlation energy estimates for five- and six-membered rings Yann Damour,Mickaël Veril,Fábris Kossoski,Michel Caffarel,Denis Jacqueminet al. The Journal of Chemical Physics, 2021, 155 (13), pp.134104. ⟨10.1063/5.0065314⟩ Article dans une revue hal-03315299v1
Electronic excitation of benzene by low energy electron impact and the role of higher lying Rydberg states Alan Guilherme Falkowski,Romarly F. da Costa,Fábris Kossoski,Michael Brunger,Lima A.P. Marco The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2021, 75 (12), pp.310. ⟨10.1140/epjd/s10053-021-00326-x⟩ Article dans une revue hal-03522444v1
Anion states of halocamphor molecules: insights into chirally sensitive dissociative electron attachment Julio C. Ruivo,Fábris Kossoski,Marcio T Do N. Varella Physical Chemistry Chemical Physics, 2021, 23 (32), pp.17616-17624. ⟨10.1039/D1CP02316K⟩ Article dans une revue hal-03340304v1
Excited States From State Specific Orbital Optimized Pair Coupled Cluster Fábris Kossoski,Antoine Marie,Anthony Scemama,Michel Caffarel,Pierre-Francois Loos Journal of Chemical Theory and Computation, 2021, 17 (8), pp.4756-4768. ⟨10.1021/acs.jctc.1c00348⟩ Article dans une revue hal-03193676v2
Electronic excitation of ethanol by low-energy electron impact Alan Guilherme Falkowski,Marco Lima,Fábris Kossoski The Journal of Chemical Physics, 2020, 152 (24), pp.244302. ⟨10.1063/5.0008428⟩ Article dans une revue hal-03518899v1
Nonadiabatic dynamics in multidimensional complex potential energy surfaces † Fábris Kossoski,Mario Barbatti Chemical Science, 2020, ⟨10.1039/d0sc04197a⟩ Article dans une revue hal-02931944v1
The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry Hans Lischka,Ron Shepard,Thomas Müller,Peter G. Szalay,Russell M Pitzeret al. The Journal of Chemical Physics, 2020, 152 (13), pp.134110. ⟨10.1063/1.5144267⟩ Article dans une revue hal-02612344v1
On-the-fly dynamics simulations of transient anions F. Kossoski,M. T. Do N. Varella,M. Barbatti The Journal of Chemical Physics, 2019, 151 (22), pp.224104. ⟨10.1063/1.5130547⟩ Article dans une revue hal-02612332v1
Nuclear Ensemble Approach with Importance Sampling Fábris Kossoski,Mario Barbatti Journal of Chemical Theory and Computation, 2018, 14 (6), pp.3173-3183 Article dans une revue hal-01965459v1
How does methylation suppress the electron-induced decomposition of 1-methyl-nitroimidazoles? F. Kossoski,M. T. Do N. Varella The Journal of Chemical Physics, 2017, 147 (16), pp.164310. ⟨10.1063/1.5005604⟩ Article dans une revue hal-01774246v1
Transient anion spectra of the potential radiosensitizers 5-cyanateuracil and 5-thiocyanateuracil L. M. Cornetta,F. Kossoski,M. T. Do N. Varella The Journal of Chemical Physics, 2017, 147 (21), pp.214310. ⟨10.1063/1.5007050⟩ Article dans une revue hal-01774188v1
Electron driven reactions in sulphur containing analogues of uracil: the case of 2-thiouracil J. Kopyra,H. Abdoul-Carime,F. Kossoski,M. T. Do N. Varella Physical Chemistry Chemical Physics, 2014, 16 (45), pp.25054-25061. ⟨10.1039/c4cp03544e⟩ Article dans une revue in2p3-01342577v1

Pré-publication, Document de travail (1)

Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy Pierre-Francois Loos,Yann Damour,Abdallah Ammar,Michel Caffarel,Fábris Kossoskiet al. 2024 Pré-publication, Document de travail hal-04470263v1