| Year |
Citation |
Score |
| 2022 |
Bergami M, Santana ALD, Charry Martinez J, Reyes A, Coutinho K, Varella MTDN. Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium. The Journal of Physical Chemistry. B. 126: 2699-2714. PMID 35377644 DOI: 10.1021/acs.jpcb.1c10124 |
0.343 |
|
| 2020 |
Moncada F, Pedraza-González L, Charry J, do N Varella MT, Reyes A. Covalent bonds in positron dihalides. Chemical Science. 11: 44-52. PMID 32953003 DOI: 10.1039/C9Sc04433G |
0.376 |
|
| 2019 |
Rodas JM, Galindo JF, Roitberg AE, Reyes A. The any particle molecular orbital/molecular mechanics approach. Journal of Molecular Modeling. 25: 316. PMID 31529219 DOI: 10.1007/S00894-019-4153-X |
0.374 |
|
| 2019 |
Reyes A, Moncada F, Charry J. The any particle molecular orbital approach: A short review of the theory and applications International Journal of Quantum Chemistry. 119. DOI: 10.1002/Qua.25705 |
0.328 |
|
| 2018 |
Charry JA, Varella MTDN, Reyes A. Binding matter with antimatter: the covalent positron bond. Angewandte Chemie (International Ed. in English). PMID 29770555 DOI: 10.1002/Anie.201800914 |
0.35 |
|
| 2018 |
Posada E, Moncada F, Reyes A. The any particle molecular orbital grid-based Hartree-Fock (APMO-GBHF) approach. The Journal of Chemical Physics. 148: 084113. PMID 29495795 DOI: 10.1063/1.5012521 |
0.417 |
|
| 2017 |
Pedraza-González L, Charry J, Quintero W, Alí-Torres J, Reyes A. Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protons. Physical Chemistry Chemical Physics : Pccp. PMID 28890980 DOI: 10.1039/C7Cp04936F |
0.333 |
|
| 2017 |
Charry J, Pedraza-González L, Reyes A. On the physical interpretation of the nuclear molecular orbital energy. The Journal of Chemical Physics. 146: 214103. PMID 28576090 DOI: 10.1063/1.4984098 |
0.376 |
|
| 2017 |
Moncada F, Flores-Moreno R, Reyes A. Theoretical calculation of polarizability isotope effects. Journal of Molecular Modeling. 23: 90. PMID 28229340 DOI: 10.1007/S00894-017-3236-9 |
0.435 |
|
| 2016 |
Pedraza-González LM, Galindo JF, Gonzalez R, Reyes A. Revisiting the Dielectric Constant Effect on the Nucleophile and Leaving Group of Prototypical Backside Sn2 Reactions: a Reaction Force and Atomic Contribution Analysis. The Journal of Physical Chemistry. A. PMID 27718576 DOI: 10.1021/Acs.Jpca.6B06517 |
0.385 |
|
| 2016 |
Pedraza-González L, Romero J, Alí-Torres J, Reyes A. Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach. Physical Chemistry Chemical Physics : Pccp. 18: 27185-27189. PMID 27711707 DOI: 10.1039/C6Cp05128F |
0.353 |
|
| 2016 |
Tsukamoto Y, Ikabata Y, Romero J, Reyes A, Nakai H. The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies. Physical Chemistry Chemical Physics : Pccp. 18: 27422-27431. PMID 27711434 DOI: 10.1039/C6Cp03786K |
0.368 |
|
| 2014 |
Romero J, Charry JA, Flores-Moreno R, Varella MT, Reyes A. Calculation of positron binding energies using the generalized any particle propagator theory. The Journal of Chemical Physics. 141: 114103. PMID 25240341 DOI: 10.1063/1.4895043 |
0.431 |
|
| 2014 |
Posada E, Moncada F, Reyes A. Negative muon chemistry: the quantum muon effect and the finite nuclear mass effect. The Journal of Physical Chemistry. A. 118: 9491-9. PMID 25188920 DOI: 10.1021/Jp501289S |
0.496 |
|
| 2014 |
Pan S, Moreno D, Cabellos JL, Romero J, Reyes A, Merino G, Chattaraj PK. In quest of strong Be-Ng bonds among the neutral Ng-Be complexes. The Journal of Physical Chemistry. A. 118: 487-94. PMID 24199587 DOI: 10.1021/Jp409941V |
0.334 |
|
| 2014 |
Charry J, Romero J, Varella MTdN, Reyes A. Calculation of positron binding energies of amino acids with the any-particle molecular-orbital approach Physical Review A. 89: 52709. DOI: 10.1103/Physreva.89.052709 |
0.327 |
|
| 2014 |
Romero J, Charry JA, Nakai H, Reyes A. Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique Chemical Physics Letters. 591: 82-87. DOI: 10.1016/J.Cplett.2013.11.013 |
0.315 |
|
| 2014 |
Flores-Moreno R, Posada E, Moncada F, Romero J, Charry J, Díaz-Tinoco M, González SA, Aguirre NF, Reyes A. LOWDIN: The any particle molecular orbital code International Journal of Quantum Chemistry. 114: 50-56. DOI: 10.1002/Qua.24500 |
0.687 |
|
| 2013 |
Reyes A, Cuervo PA, Orozco F, Abonia R, Duque-Noreña M, Pérez P, Chamorro E. Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'-aminochalcones to dihydroquinolin-8-ones and indolin-3-ones. Journal of Molecular Modeling. 19: 3611-8. PMID 23748481 DOI: 10.1007/S00894-013-1893-X |
0.36 |
|
| 2013 |
Díaz-Tinoco M, Romero J, Ortiz JV, Reyes A, Flores-Moreno R. A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator. The Journal of Chemical Physics. 138: 194108. PMID 23697410 DOI: 10.1063/1.4805030 |
0.368 |
|
| 2013 |
Aguirre NF, Villarreal P, Delgado-Barrio G, Posada E, Reyes A, Biczysko M, Mitrushchenkov AO, de Lara-Castells MP. Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems. The Journal of Chemical Physics. 138: 184113. PMID 23676035 DOI: 10.1063/1.4803546 |
0.742 |
|
| 2013 |
Gonzalez JD, Florez E, Romero J, Reyes A, Restrepo A. Microsolvation of Mg²⁺, Ca²⁺: strong influence of formal charges in hydrogen bond networks. Journal of Molecular Modeling. 19: 1763-77. PMID 23306735 DOI: 10.1007/S00894-012-1716-5 |
0.35 |
|
| 2013 |
Pan S, Contreras M, Romero J, Reyes A, Chattaraj PK, Merino G. C5Li7(+) and O2Li5(+) as noble-gas-trapping agents. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 2322-9. PMID 23296901 DOI: 10.1002/Chem.201203245 |
0.34 |
|
| 2013 |
Pineda-Urbina K, Guerrero RD, Reyes A, Gómez-Sandoval Z, Flores-Moreno R. Shape entropy’s response to molecular ionization Journal of Molecular Modeling. 19: 1677-1683. PMID 23292296 DOI: 10.1007/S00894-012-1725-4 |
0.353 |
|
| 2013 |
Romero J, Restrepo A, Reyes A. Solvent isotope effects on the hydration of alkaline cations: H/D secondary isotope effects on electrostatic interactions Molecular Physics. 112: 518-525. DOI: 10.1080/00268976.2013.850543 |
0.302 |
|
| 2013 |
Bohórquez HJ, Reyes A. The Pauli energy grows exponentially with the electronic localisation Molecular Physics. 112: 416-421. DOI: 10.1080/00268976.2013.836605 |
0.374 |
|
| 2013 |
Moncada F, Cruz D, Reyes A. Electronic properties of atoms and molecules containing one and two negative muons Chemical Physics Letters. 570: 16-21. DOI: 10.1016/J.Cplett.2013.03.004 |
0.543 |
|
| 2013 |
Pan S, Jalife S, Romero J, Reyes A, Merino G, Chattaraj PK. Attractive Xe–Li interaction in Li-decorated clusters Computational and Theoretical Chemistry. 1021: 62-69. DOI: 10.1016/J.Comptc.2013.06.026 |
0.363 |
|
| 2013 |
Moncada F, Uribe LS, Romero J, Reyes A. Hydrogen isotope effects on covalent and noncovalent interactions: The case of protonated rare gas clusters International Journal of Quantum Chemistry. 113: 1556-1561. DOI: 10.1002/Qua.24360 |
0.397 |
|
| 2012 |
Romero J, Posada E, Flores-Moreno R, Reyes A. A generalized any particle propagator theory: assessment of nuclear quantum effects on electron propagator calculations. The Journal of Chemical Physics. 137: 074105. PMID 22920101 DOI: 10.1063/1.4745076 |
0.496 |
|
| 2012 |
Moncada F, Cruz D, Reyes A. Muonic alchemy: transmuting elements with the inclusion of negative muons Chemical Physics Letters. 539: 209-213. DOI: 10.1016/J.Cplett.2012.04.062 |
0.488 |
|
| 2012 |
Moncada F, Posada E, Flores-Moreno R, Reyes A. Non-Born–Oppenheimer self-consistent field calculations with cubic scaling Chemical Physics. 400: 103-107. DOI: 10.1016/J.Chemphys.2012.03.005 |
0.384 |
|
| 2011 |
Romero J, Reyes A, David J, Restrepo A. Understanding microsolvation of Li+: structural and energetical analyses. Physical Chemistry Chemical Physics : Pccp. 13: 15264-71. PMID 21792439 DOI: 10.1039/C1Cp20903E |
0.388 |
|
| 2011 |
Moreno DV, González SA, Reyes A. Turning symmetric an asymmetric hydrogen bond with the inclusion of nuclear quantum effects: the case of the [CN···H···NC]- complex. The Journal of Chemical Physics. 134: 024115. PMID 21241088 DOI: 10.1063/1.3521272 |
0.455 |
|
| 2010 |
Moreno DV, González SA, Reyes A. Secondary hydrogen isotope effects on the structure and stability of cation-pi complexes (cation = Li(+), Na(+), K(+) and pi = acetylene, ethylene, benzene). The Journal of Physical Chemistry. A. 114: 9231-6. PMID 20701398 DOI: 10.1021/Jp103314P |
0.362 |
|
| 2010 |
Moncada F, González SA, Reyes A. First principles investigation of hydrogen isotope effects in [XSO4–H–SO4X]− (X = H, K) complexes Molecular Physics. 108: 1545-1552. DOI: 10.1080/00268971003781589 |
0.332 |
|
| 2010 |
González SA, Reyes A. Nuclear quantum effects on the He2H+ complex with the nuclear molecular orbital approach International Journal of Quantum Chemistry. 110: 689-696. DOI: 10.1002/Qua.22118 |
0.416 |
|
| 2009 |
Rivera A, Moyano D, Maldonado M, Ríos-Motta J, Reyes A. FT-IR and DFT studies of the proton affinity of small aminal cages. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 74: 588-90. PMID 19692295 DOI: 10.1016/J.Saa.2009.07.009 |
0.335 |
|
| 2008 |
González SA, Aguirre NF, Reyes A. Theoretical investigation of isotope effects: The any-particle molecular orbital code International Journal of Quantum Chemistry. 108: 1742-1749. DOI: 10.1002/Qua.21584 |
0.676 |
|
| 2007 |
Pacheco AB, Thorndyke B, Reyes A, Micha DA. Quantum dynamics of an excited alkali atom in a noble gas cluster: lithium attached to a helium cluster. The Journal of Chemical Physics. 127: 244504. PMID 18163688 DOI: 10.1063/1.2813889 |
0.708 |
|
| 2006 |
Pacheco AB, Reyes A, Micha DA. Light absorption during alkali atom-noble gas atom interactions at thermal energies: a quantum dynamics treatment. The Journal of Chemical Physics. 125: 154313. PMID 17059261 DOI: 10.1063/1.2357956 |
0.76 |
|
| 2006 |
Pacheco AB, Reyes A, Micha DA. Publisher's Note: First-principles dynamics treatment of light emission in collisions between alkali-metal atoms and noble-gas atoms at10keV[Phys. Rev. A74, 062714 (2006)] Physical Review A. 74. DOI: 10.1103/Physreva.74.069904 |
0.731 |
|
| 2005 |
Reyes A, Pak MV, Hammes-Schiffer S. Investigation of isotope effects with the nuclear-electronic orbital approach. The Journal of Chemical Physics. 123: 64104. PMID 16122297 DOI: 10.1063/1.1990116 |
0.583 |
|
| 2003 |
Reyes A, Micha DA. Dynamics of spin-orbit recoupling in collisions of alkali atoms with noble-gas atoms using atomic core potentials Journal of Chemical Physics. 119: 12316-12322. DOI: 10.1063/1.1625917 |
0.683 |
|
| 2003 |
Reyes A, Micha DA. Dynamics of electronic excitation in collisions of alkali atoms with noble-gas atoms using atomic core potentials Journal of Chemical Physics. 119: 12308-12315. DOI: 10.1063/1.1625916 |
0.698 |
|
| 2002 |
Reyes A, Micha DA, Runge K. First principles dynamics of Li-He collisional excitation using atomic core potentials Chemical Physics Letters. 363: 441-446. DOI: 10.1016/S0009-2614(02)01235-6 |
0.61 |
|
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