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Bruno Tenorio
Bruno Tenorio
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Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems
JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ...
The Journal of chemical physics 152 (21), 2020
562020
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation, 2023
402023
Molecular inner-shell photoabsorption/photoionization cross sections at core-valence-separated coupled cluster level: Theory and examples
BNC Tenorio, T Moitra, MAC Nascimento, AB Rocha, S Coriani
The Journal of Chemical Physics 150 (22), 2019
402019
Coupled cluster study of photoionization and photodetachment cross sections
BNC Tenorio, MAC Nascimento, S Coriani, AB Rocha
Journal of Chemical Theory and Computation 12 (9), 4440-4459, 2016
262016
Atomic versus molecular Auger decay in CH2Cl2 and CD2Cl2 molecules
ACF Santos, DN Vasconcelos, MA MacDonald, MM Sant’Anna, ...
The Journal of chemical physics 149 (5), 2018
172018
Coupled cluster and time-dependent density functional theory description of inner shell photoabsorption cross sections of molecules
BNC Tenorio, RR Oliveira, MAC Nascimento, AB Rocha
Journal of Chemical Theory and Computation 14 (10), 5324-5338, 2018
152018
Time-dependent density functional theory description of total photoabsorption cross sections
BNC Tenorio, MAC Nascimento, AB Rocha
The Journal of Chemical Physics 148 (7), 2018
142018
Photoionization observables from multi-reference dyson orbitals coupled to B-spline DFT and TD-DFT continuum
BNC Tenorio, A Ponzi, S Coriani, P Decleva
Molecules 27 (4), 1203, 2022
122022
Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states
BN Cabral Tenorio, MA Chaer Nascimento, AB Rocha, S Coriani
The Journal of Chemical Physics 151 (18), 2019
122019
Fragmentation of Valence and Carbon Core Excited and Ionized CH2FCF3 Molecule
V Morcelle, A Medina, LC Ribeiro, I Prazeres, RRT Marinho, MS Arruda, ...
The Journal of Physical Chemistry A 122 (51), 9755-9760, 2018
122018
Transitions energies, optical oscillator strengths and partial potential energy surfaces of inner-shell states of water clusters
BNC Tenório, CEV de Moura, RR Oliveira, AB Rocha
Chemical Physics 508, 26-33, 2018
112018
Multi-reference approach to the computation of double core-hole spectra
BNC Tenorio, P Decleva, S Coriani
The Journal of Chemical Physics 155 (13), 131101, 2021
102021
Multi-Reference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation
BNC Tenorio, TA Voß, SI Bokarev, P Decleva, S Coriani
Journal of Chemical Theory and Computation 18 (7), 4387-4407, 2022
92022
Ab initio study of diffusion of hydrogen, silver and lithium in PbS and Ag2S
RR Oliveira, BNC Tenorio, AB Rocha
Computational Materials Science 166, 75-81, 2019
92019
Disentangling the resonant Auger spectra of ozone: overlapping core-hole states and core-excited state dynamics
BNC Tenorio, KB Møller, P Decleva, S Coriani
Physical Chemistry Chemical Physics 24 (46), 28150-28163, 2022
72022
Theoretical study of the absolute inner-shell photoionization cross sections of the formic acid and some of its hydrogen-bonded clusters
BNC Tenorio, MAC Nascimento, AB Rocha
The Journal of Chemical Physics 150 (15), 2019
72019
Molecular Photoionization and Photodetachment Cross Sections Based on L Basis Sets: Theory and Selected Examples
BNC Tenorio, S Coriani, AB Rocha, MAC Nascimento
Advances in Methods and Applications of Quantum Systems in Chemistry …, 2021
62021
Insights on the site-selective fragmentation of CF2Cl2 and CH2Cl2 at the chlorine K-edge from ab initio calculations
BNC Tenorio, RR Oliveira, S Coriani
Chemical Physics 548, 111226, 2021
52021
Experimental and theoretical results of resonant and normal Auger decay in dichloromethane
ACF Santos, DN Vasconcelos, MA MacDonald, MM Sant’Anna, ...
The European Physical Journal D 73, 1-6, 2019
52019
Core spectroscopy of oxazole
AK Schnack-Petersen, BNC Tenorio, S Coriani, P Decleva, J Troß, ...
The Journal of Chemical Physics 157 (21), 2022
42022
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