J. Charry, F. Moncada, M. Barborini, L. Pedraza-González, MT do N. Varella, A. Tkatchenko, A.
Reyes:
The three-center two-positron bond, Chem. Sci. Accepted, DOI: https://doi.org/10.1039/D2SC04630J
(2022)
M. Bergami, ALD Santana, J. Charry, A. Reyes, K. Coutinho, MT do N. Varella,:
Multicomponent
Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium, J. Phys. Chem. B 126,
2699 (2022)
. Moncada, L. Pedraza-González, J. Charry, MT do N. Varella, A. Reyes:
Covalent bonds in positron dihalides, Chem. Sci. 11, 44 (2020)
J. M Rodas, J. F. Galindo, A. Reyes,:
The any particle molecular orbital and quantum mechanics/molecular mechanics approach: Efficient computation of proton binding energies and affinities, J. Mol. Model. 25, 316 (2019)
F. Moncada, J. Charry and A. Reyes:
The Any Particle Molecular Orbital approach: A short review
of the theory and applications, Int. J. Quant. Chem. 119, e2570 (2019).
J. Charry and M. T. Varella and A. Reyes:
Binding matter with antimatter: The covalent positron bond, Angew. Chem. Int. Ed. 57, 8859 (2018)
E. Posada and A. Reyes:
The Any Particle Molecular Orbital Grid-based Hartree-Fock (APMO-GBHF)
Approach, J. Chem. Phys. 118, 084113 (2018)
L. Pedraza-González, J. A. Charry, W. Quintero, J. Alí-Torres, A. Reyes,:
Fast and accurate prediction of proton affinities: revisiting the extended Koopmans¿ theorem for protons, Phys. Chem. Chem. Phys. 19, 25324 (2017)
. Charry, L. Pedraza-González, A. Reyes:
On the physical interpretation of the nuclear molecular orbital energy, J. Chem. Phys. 146, 214103 (2017)
F. S. Moncada, R. Flores-Moreno, A. Reyes:
Theoretical calculation of polarizability isotope effects, J. Mol. Model. 23, 90 (2017)
M. Bergami, J. Charry, A. Reyes, K. Coutinho, MT do N. Varella:
, Does positron attachment take place
in water solution?, J. Phys. Chem B, Accepted, (2024)
D. Archila, F. Moncada, J. Charry, MT do N. Varella, R. Flores-Moreno, F.J. Torres, A. Reyes:
Two-positron-bonded dihalides: Ps2XY (X,Y=F,Cl,Br), Chem. Eur. J. Accepted (2024)
R. Porras-Roldan, F. Moncada, J. Charry, MT do N. Varella, R. Flores-Moreno, A. Reyes:
Electron superhalogens as positronium superhalogens, PCCP, 26, 18881 (2024)
F. Moncada, W. Quintero, E. Posada, L.G.M. Pettersson, A. Reyes:
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho- and para-3He2@C60, ChemPhysChem.
25, e202300498 (2024)
R.D. Guerrero, A. Reyes:
, Optimizing Quantum Control Pulses with Gaussian Process Priors: The
Spectral Way, J. Phys. Chem. A 127, 29 61236134 (2023)
F. Moncada, A. Reyes:
, Multicomponent Wavefunction-in-DFT Embedding For Positronium Molecules,
J. Chem. Phys. 158, 134101 (2023)
J. Charry, F. Moncada, M. Barborini, L. Pedraza-González, MT do N. Varella, A. Tkatchenko, A.
Reyes:
, The three-center two-positron bond, Chem. Sci. 13, 13795 (2022)
M. Bergami, ALD Santana, J. Charry, A. Reyes, K. Coutinho, MT do N. Varella:
, Multicomponent
Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium, J. Phys. Chem. B 126,
2699 (2022)
F. Moncada, L. Pedraza-González, J. Charry, MT do N. Varella, A. Reyes,:
Covalent bonds in positron
dihalides, Chem. Sci. 11, 44 (2020)
J . M Rodas, J. F. Galindo, A. Reyes:
, The any particle molecular orbital and quantum mechanics/molecular
mechanics approach: Efficient computation of proton binding energies and affinities, J. Mol. Model. 25,
316 (2019)
F. Moncada, J. Charry and A. Reyes:
, The Any Particle Molecular Orbital approach: A short review of
the theory and applications, Int. J. Quant. Chem. 119, e2570 (2019).
J. Charry and M. T. Varella and A. Reyes:
, Binding matter with antimatter: The covalent positron
bond, Angew. Chem. Int. Ed. 57, 8859 (2018)
E. Posada and A. Reyes,:
The Any Particle Molecular Orbital Grid-based Hartree-Fock (APMO-GBHF)
Approach, J. Chem. Phys. 118, 084113 (2018)
L. Pedraza-González, J. A. Charry, W. Quintero, J. Alí-Torres, A. Reyes,:
Fast and accurate prediction
of proton affinities: revisiting the extended Koopmans theorem for protons, Phys. Chem. Chem. Phys.
19, 25324 (2017)
J. Charry, L. Pedraza-González, A. Reyes:
, On the physical interpretation of the nuclear molecular
orbital energy, J. Chem. Phys. 146, 214103 (2017)
F. S. Moncada, R. Flores-Moreno, A. Reyes:
, Theoretical calculation of polarizability isotope effects, J.
Mol. Model. 23, 90 (2017)
L. Pedraza-González, J. Galindo, R. González and A. Reyes:
, Revisiting the solvent effect on the nucleop-
hile and leaving group of prototypical backside SN 2 reactions: a reaction force and atomic contribution
analysis, J. Phys. Chem. A, 120, 8360 (2016
Y. Tsukamoto, Y. Ikabata, J. Romero, A. Reyes, and H. Nakai:
, Divide-and-Conquer second-order proton
propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation
of proton binding energies, Phys. Chem. Chem. Phys., 18, 27422 (2016)
L. Pedraza-González, J. Romero, J. Alí-Torres and A. Reyes:
, Prediction of proton affinities of organic
molecules with the any-particle molecular-orbital second-order proton propagator approach, Phys. Chem.
Chem. Phys., 18, 27185 (2016)
R. D. Guerrero, C. A. Arango, A. Reyes:
, Analytical optimal pulse shapes obtained with the aid of genetic
algorithms: controlling the photoisomerization yield of retinal, J. Chem. Phys., 145, 031101 (2016)