Alejandro Ramírez Solís

Acerca de

Nivel: Profesor Titular C
SNI: 3
Departamento: Física
Líneas de Investigación:

Espectroscopía teórica

Formación Alejandro Ramírez estudió la Licenciatura en Física (UNAM, 1984), una Maestría en Ciencias en el Instituto de Física de la UNAM (1986) y obtuvo el Doctorado en Física Cuántica por la Universidad Paul Sabatier de Toulouse, Francia (1990). Realizó dos años de investigación postdoctoral en el Laboratorio de Catálisis Molecular del Instituto Mexicano del Petróleo. Ha sido Profesor Invitado en el Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes de Toulouse (2004-2005 y 2013-2014) y en el Departamento de Química-Bioquímica de la Universidad de California en Santa Barbara (2006-2007) realizando estancias sabáticas.
Correo: alex@uaem.mx
Extensión: 3262
Redes: Perfil Google Scholar

Publicaciones arbitradas

2019
128. Almora-Díaz, César X.;Ramírez-Solís, Alejandro;Bunge, Carlos F.; Symmetric dissociation of the water molecule with truncation energy error. A benchmark study. Physical Chemistry Chemical Physics. 2019, 21 9 (4953 - 4964) 10.1039/C8CP06180G
127. A. Ramírez-Solis, J. Vigué, G. Hionojosa, H. Saint-Martin; Solving the CH4- riddle: The fundamental role of spin to explain metastable anionic methane. Physical review letters. 2019, https://journals.aps.org/prl/accepted/4a07eY58S0212879b6ef5cf5ec164a0a121b2fb0e
126. Ramírez-Solís, A.;Bartulovich, C. O.;León-Pimentel, C. I.;Saint-Martin, H.;Anderson, W.R.;Flowers, Robert A.; Experimental and theoretical studies on the aqueous solvation and reactivity of SmCl 2 and comparison with SmBr 2 and SmI 2. Inorganic Chemistry. 2019, 58 20 (13927 - 13932) 10.1021/acs.inorgchem.9b01818
125. Salazar-Díaz, J. Jacobo;Muñoz-Hernández, Miguel A.;Rufino-Felipe, Ernesto;Flores-Alamo, Marcos;Ramírez-Solís, Alejandro;Montiel-Palma, Virginia; Bi- and tridentate stannylphosphines and their coordination to low-valent platinum. Dalton Transactions. 2019, 48 42 (15896 - 15905) 10.1039/C9DT03317C
2018
124. Ramirez-Solis, Alejandro;Amaro-Estrada, Jorge Iván;Hernández-Cobos, Jorge;Maron, Laurent; Aqueous Solvation of SmI 3 : A Born–Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach. Inorganic Chemistry. 2018, 57 5 (2843 - 2850) 10.1021/acs.inorgchem.7b03220
123. Ramírez-Solís, Alejandro;Ochoa-Calle, Alvaro Jesús;Hernández-Lamoneda, Ramón; Core excitations of the solid oxygen ε phase: periodic hybrid density functional theory studies with localized atomic basis. Theoretical Chemistry Accounts. 2018, 137 3 (32 - 32) 10.1007/s00214-018-2213-4
122. Ramírez-Solís, Alejandro;Bartulovich, Caroline O.;Chciuk, Tesia V.;Hernández-Cobos, Jorge;Saint-Martin, Humberto;Maron, Laurent;Anderson, William R.;Li, Anna M.;Flowers, Robert A.; Experimental and Theoretical Studies on the Implications of Halide-Dependent Aqueous Solvation of Sm(II). Journal of the American Chemical Society. 2018, 140 48 (16731 - 16739) 10.1021/jacs.8b09857
121. Amaro-Estrada, Jorge I.;Hernández-Cobos, Jorge;Saint-Martin, Humberto;Maron, Laurent;Ramírez-Solís, Alejandro; Hydration of CH 3 HgOH and CH 3 HgCl compared to HgCl 2 , HgClOH, and Hg(OH) 2 : A DFT microsolvation cluster approach. The Journal of Chemical Physics. 2018, 149 14 (144301 - 144301) 10.1063/1.5038418
120. Ramírez-Solís, A.;Amaro-Estrada, J. I.;León-Pimentel, C. I.;Hernández-Cobos, J.;Garrido-Hoyos, S. E.;Saint-Martin, H.; On the aqueous solvation of AsO(OH) 3 vs. As(OH) 3 . Born–Oppenheimer molecular dynamics density functional theory cluster studies. Physical Chemistry Chemical Physics. 2018, 20 24 (16568 - 16578) 10.1039/C8CP01673A
119. León-Pimentel, C. I.;Amaro-Estrada, J. I.;Hernández-Cobos, J.;Saint-Martin, H.;Ramírez-Solís, A.; Aqueous solvation of Mg( <ii> ) and Ca( ii ): A Born-Oppenheimer molecular dynamics study of microhydrated gas phase clusters. The Journal of Chemical Physics. 2018, 148 14 (144307 - 144307) 10.1063/1.5021348
2017
118. Mochan, W. Luis;Ramirez-Solis, A.; How a drug and explosives detector proved useless: Military use of the GT200. IEEE Technology and Society Magazine. 2017, 36 2 (76 - 82) 10.1109/MTS.2017.2696601
117. Ramírez-Solís, A;Zicovich-Wilson, C M;Hernández-Lamoneda, R;Ochoa-Calle, A J; Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange. Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2017, 19 4 (2826 - 2833) 10.1039/C6CP07445F
116. Leon-Pimentel, C.;Amaro-Estrada, JI;Saint-Martin, Humberto;Ramirez-Solis, Alejandro; Born-Oppenheimer molecular dynamics studies of Pb(ii) micro hydrated gas phase clusters. Journal of Chemical Physics. 2017, 146 084307 10.1063/1.4976686
115. Ramı́rez-Solı́s, A.;Amaro-Estrada, J. I.;Hernández-Cobos, J.;Maron, L.; Aqueous solvation of SmI 2 : A Born–Oppenheimer molecular dynamics density functional theory cluster approach. The Journal of Physical Chemistry A. 2017, 121 11 (2293 - 2297) 10.1021/acs.jpca.7b00910
2015
114. Ochoa-Calle, A J;Zicovich-Wilson, C M;Hernández-Lamoneda, R;Ramírez-Solís, A; Understanding the ε and ζ high-pressure solid phases of oxygen. systematic periodic density functional theory studies using localized atomic basis. Journal of chemical theory and computation. American Chemical Society. 2015, 11 3 (1195 - 1205) 10.1021/acs.jctc.5b00017
113. Ochoa-Calle, A J;Zicovich-Wilson, C M;Ramírez-Solís, A; Solid oxygen ζ phase and its transition from ɛ phase at extremely high pressure: A first-principles analysis. Physical Review B. American Physical Society. 2015, 92 8 (85148 - 85148) 10.1103/PhysRevB.92.085148
112. Ochoa-Calle, A.J.;Zicovich-Wilson, C.M.;Ramírez-Solís, A; On the Raman and infrared vibrational spectra of the ɛ and ζ phases of oxygen. Systematic DFT studies with localized basis sets. Chemical Physics Letters. North-Holland. 2015, 638 (82 - 86) 10.1016/j.cplett.2015.08.036
2014
111. Ramírez-Solís, A;Maron, L; On the thermal stability of the branched hexasulfane isomers. A DFT molecular dynamics study of H 2 S 6 conformers. Chemical Physics Letters. Elsevier. 2014, 607 (64 - 69)
110. Ramírez-Solís, A;Bernal-Jaquez, R;Zicovich-Wilson, C.M.; The molecular and electronic structure of poly-[2,7-(benzo[2,1;3,4-b′]dithiophene)-alt-2,2′-(3,3′-didodecyl-5,5′-bithiophenyl)] (PBTT): A periodic DFT approach. Chemical Physics Letters. Elsevier. 2014, 607 (47 - 51) 10.1016/j.cplett.2014.05.047
109. Morales-Nava, Rosmarbel;Ramírez-Solís, Alejandro;Fernández-Zertuche, Mario; NMR and theoretical studies on the conformational preferences of some non-metal coordinated N-enoyl systems attached to common chiral auxilaries. Journal of the Mexican Chemical Society. Sociedad Química de México AC. 2014, 58 2 (89 - 94) http://www.jmcs.org.mx/PDFS/V58/2/01%20JMCS13035.pdf
108. Ramírez-Solís, Alejandro;Novaro, Octavio; The first metals in Mendeleiev’s table: further arguments to place He above Ne and not above Be. Foundations of Chemistry. Springer. 2014, 16 2 (87 - 91) 10.1007/s10698-012-9174-9
107. Ochoa-Calle, A.J.;Ramírez-Solís, A; On the stability of the cyclic O8 molecule. Chemical Physics Letters. Elsevier. 2014, 592 (326 - 329) 10.1016/j.cplett.2013.12.056
106. Caffarel, Michel;Giner, Emmanuel;Scemama, Anthony;Ramírez-Solís, Alejandro; Spin density distribution in open-shell transition metal systems: A comparative post-Hartree–Fock, density functional theory, and quantum Monte Carlo study of the CuCl2 molecule. Journal of Chemical Theory and Computation. American Chemical Society. 2014, 10 12 (5286 - 5296) 10.1021/ct5004252
105. Ramírez-Solís, A;Maron, L; Aqueous microsolvation of CdCl2: Density functional theory and Born-Oppenheimer molecular dynamics studies. The Journal of chemical physics. AIP. 2014, 141 9 (94304 - 94304) 10.1063/1.4894286
104. Ramírez-Solís, Alejandro; On the accuracy of the complete basis set extrapolation for anionic systems: a case study of the electron affinity of methane. Computational Chemistry. Scientific Research Publishing. 2014, 2 02 (31 - 31) 10.4236/cc.2014.22005
103. Amaro-Estrada, J I;Maron, L;Ramírez-Solís, A; Aqueous solvation of HgClOH. Stepwise DFT solvation and Born–Oppenheimer molecular dynamics studies of the HgClOH–(H 2 O) 24 complex. Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2014, 16 18 (8455 - 8464) 10.1039/c3cp55339f
2013
102. Amaro-Estrada, J I;Maron, L;Ramírez-Solís, A; Aqueous solvation of Hg (OH) 2: energetic and dynamical density functional theory studies of the Hg (OH) 2–(H2O) n (n= 1–24) structures. The Journal of Physical Chemistry A. ACS Publications. 2013, 117 37 (9069 - 9075) 10.1021/jp405500f
101. Amaro-Estrada, J.I.;Ramírez-Solís, A; Aqueous microsolvation of HgClOH. A systematic MP2 study of the HgClOH–(H2O)n species with n=1–4. Computational and Theoretical Chemistry. Elsevier. 2013, 1006 (47 - 51) 10.1016/j.comptc.2012.11.020
100. Hô, Minhhuy;Navarrete-López, Alejandra M;Zicovich-Wilson, Claudio M;Ramírez-Solís, Alejandro; Electronic charge density analysis of Li-doped polyacetylene: Molecular vs periodic descriptions and nature of Li-to-chain bonding. The Journal of Physical Chemistry B. ACS Publications. 2013, 117 2 (725 - 730) 10.1021/jp3106343
99. Ochoa-Calle, A J;Hernández-Lamoneda, R;Ramírez-Solís, A; On the stability of the cuboid singlet (S2) 4 supermolecule: Benchmark ab initio studies. The Journal of chemical physics. AIP. 2013, 138 9 (94317 - 94317) 10.1063/1.4793310
2012
98. Ramírez‐Solís, Alejandro;Maron, Laurent; Nonharmonic vibrational effects in HgClOH: An MP2 Born–Oppenheimer molecular dynamics study. International Journal of Quantum Chemistry. Wiley Online Library. 2012, 112 21 (3484 - 3489) 10.1002/qua.24123
97. Ramírez-Solís, A;Hô, M;Hernández-Cobos, J;Ortega-Blake, I; Theoretical studies on the optimal X (OH)3–H2O (X=N, P, Sb) complexes: Interaction energies and topological analysis of the electronic density. Chemical Physics Letters. Elsevier. 2012, 524 (20 - 24) 10.1016/j.cplett.2011.12.044
96. Ramírez‐Solís, A; The molecular structure of AgBr. International Journal of Quantum Chemistry. Wiley-Blackwell. 2012, 112 22 (3559 - 3563)
95. Ramírez‐Solís, A; The molecular structure of AgBr2 and AgBr2+. A benchmark CASSCF, CASPT2, and averaged coupled pair functional study. International Journal of Quantum Chemistry. Wiley Online Library. 2012, 112 22 (3559 - 3563) 10.1002/qua.24167
94. Ramírez‐Solís, Alejandro;Novaro, Octavio; Nonadditive effects on the stability of Be. International Journal of Quantum Chemistry. Wiley-Blackwell. 2012, 112 17 (2952 - 2956) 10.1002/qua.24140
93. Ramírez‐Solís, A; The electronic spectrum of AgBr2: Ab initio benchmark calculations on the 2Πu and 2Σu+ charge transfer states including spin‐orbit effects. International Journal of Quantum Chemistry. Wiley Online Library. 2012, 112 21 (3535 - 3542) 10.1002/qua.24183
92. Ramírez‐Solís, Alejandro;Novaro, Octavio; Nonadditive effects on the stability of Be3: A benchmark CASSCF+ averaged quadratic coupled cluster study of the equilateral and linear symmetrical configurations. International Journal of Quantum Chemistry. Wiley Online Library. 2012, 112 17 (2952 - 2956) 10.1002/qua.24140
91. Hernández-Cobos, J;Ramírez-Solís, A;Maron, L;Ortega-Blake, I; Theoretical study of the aqueous solvation of HgCl2: Monte Carlo simulations using second-order Moller-Plesset-derived flexible polarizable interaction potentials. The Journal of chemical physics. AIP. 2012, 136 1 (14502 - 14502) 10.1063/1.3673780
2011
90. Castro, Ludovic;Dommergue, Aurélien;Renard, Alexandre;Ferrari, Christophe;Ramirez-Solis, Alejandro;Maron, Laurent; Theoretical study of the solvation of HgCl2, HgClOH, Hg (OH) 2 and HgCl3−: a density functional theory cluster approach. Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2011, 13 37 (16772 - 16779) 10.1039/C1CP22154J
89. Ramírez-Solís, A;Ho, M;Hernández-Cobos, J;Ortega-Blake, I; Theoretical study of the optimal As (OH) 3–H 2 O complex: Interaction energy and topological analysis of the electronic density. Computational and Theoretical Chemistry. Elsevier. 2011, 967 1 (44 - 49) 10.1016/j.comptc.2011.03.039
88. Ramírez-Solís, A;Jolibois, Franck;Maron, Laurent; Born–Oppenheimer DFT molecular dynamics studies of S 2 O 2: Non-harmonic effects on the lowest energy isomers. Chemical Physics Letters. Elsevier. 2011, 510 1 (21 - 26) 10.1016/j.cplett.2011.04.091
87. Amaro-Estrada, J I;Scemama, Anthony;Caffarel, Michel;Ramírez-Solís, Alejandro; On the stability of Be3: A benchmark complete active space self-consistent field+ averaged quadratic coupled cluster study. The Journal of chemical physics. AIP. 2011, 135 10 (104311 - 104311) 10.1063/1.3635403
2010
86. Caffarel, Michel;Malrieu, Jean-Paul;Poteau, Romuald;Ramirez-Solis, Alejandro; Jean-Pierre Daudey, a scientific itinerary. Theoretical Chemistry Accounts: Theory, Computation, and Modeling. 2010, 126 3-4 (99 - 108) 10.1007/s00214-009-0718-6
85. Ramírez-Solís, A;Jolibois, Franck;Maron, Laurent; Ab initio molecular dynamics studies of tetrasulfur. Dynamics coupling the C 2 v open and D 2 h closed forms of S4. The Journal of Physical Chemistry A. ACS Publications. 2010, 114 47 (12378 - 12383)
84. Hernández-Cobos, J;Vargas, M Cristina;Ramírez-Solís, A;Ortega-Blake, I; Aqueous solvation of As (OH) 3: a Monte Carlo study with flexible polarizable classical interaction potentials. The Journal of chemical physics. AIP. 2010, 133 11 (114501 - 114501) 10.1063/1.3483619
83. Zicovich-Wilson, C M;Kirtman, B;Civalleri, B;Ramirez-Solis, A; Periodic density functional theory calculations for 3-dimensional polyacetylene with empirical dispersion terms. Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2010, 12 13 (3289 - 3293) 10.1039/B918539A
82. Zicovich-Wilson, Claudio M;San Román, María Luisa;Ramírez-Solís, Alejandro; Mechanism of F− elimination from zeolitic D4R units: A periodic B3LYP study on the octadecasil zeolite. The Journal of Physical Chemistry C. ACS Publications. 2010, 114 7 (2989 - 2995) 10.1021/jp9088244
81. Ramírez-Solís, A;Jolibois, F;Maron, L; Ab initio molecular dynamics studies on the ground singlet potential energy surface of the tetraoxygen molecule, O 4. Chemical Physics Letters. Elsevier. 2010, 485 1 (16 - 20) 10.1016/j.cplett.2009.11.065
80. Caffarel, Michel;Scemama, Anthony;Ramírez-Solís, Alejandro; The lithium–thiophene interaction: a critical study using highly correlated electronic structure approaches of quantum chemistry. Theoretical Chemistry Accounts. Springer. 2010, 126 3-4 (275 - 287) 10.1007/s00214-009-0713-y
79. Santoyo-Castillo, I;Ramírez-Solís, A; The electronic spectrum of AgBr 2: Ab initio benchmark vs. DFT calculations on the lowest ligand-field states including spin–orbit effects. Journal of Molecular Spectroscopy. Elsevier. 2010, 263 2 (166 - 173) 10.1016/j.jms.2010.08.003
2009
78. Ramírez-Solís, A;Kirtman, B;Bernal-Jáquez, R;Zicovich-Wilson, C M; Periodic density functional theory studies of Li-doped polythiophene: Dependence of electronic and structural properties on dopant concentration. The Journal of chemical physics. AIP. 2009, 130 16 (164904 - 164904) 10.1063/1.3109079
77. Amaro-Estrada, J I;Ramírez-Solís, A; Ab initio study of the spectroscopy of AgBr: A CASSCF+ Averaged Coupled Pair Functional approach to the lowest excited states including spin-orbit couplings. The Journal of chemical physics. AIP. 2009, 131 12 (124308 - 124308) 10.1063/1.3239470
76. Jolibois, F;Maron, L;Ramírez-Solís, A; Ab initio molecular dynamics studies on the lowest triplet and singlet potential surfaces of the azide cation: Anharmonic effects on the vibrational spectra of linear and cyclic N 3+. Journal of Molecular Structure: THEOCHEM. Elsevier. 2009, 899 1 (9 - 17) 10.1016/j.theochem.2008.11.038
75. Scemama, Anthony;Caffarel, Michel;Ramírez-Solís, Alejandro; Bond breaking and bond making in tetraoxygen: Analysis of the O2 (X3Σg−)+ O2 (X3Σg−)⇆ O4 reaction using the electron pair localization function. The Journal of Physical Chemistry A. ACS Publications. 2009, 113 31 (9014 - 9021) 10.1021/jp902028g
2008
74. Kirtman, Bernard;Bonness, Sean;Ramírez-Solís, Alejandro;Champagne, Benoit;Matsumoto, Hironori;Sekino, Hideo; Calculation of electric dipole (hyper) polarizabilities by long-range-correction scheme in density functional theory: A systematic assessment for polydiacetylene and polybutatriene oligomers. The Journal of chemical physics. AIP. 2008, 128 11 (114108 - 114108) 10.1063/1.2885051
73. Caffarel, Michel;Ramírez-Solís, Alejandro; Fixed-Node Quantum Monte Carlo for Chemistry. Recent Progress in Many-body Theories: Proceedings of the 14th International Conference, Barcelona, Spain, 16-20 July 2007. World Scientific. 2008, 11 (353 - 353) 10.1142/9789812779885_0046
72. Ludena, Eduardo V;Illas, Francesc;Ramírez-Solís, Alejandro; On the N-representability and universality of F [ρ] in the Hohenberg-Kohn-Sham version of density functional theory. International Journal of Modern Physics B. World Scientific Publishing Company. 2008, 22 25n26 (4642 - 4654) 10.1142/S0217979208050395
71. Ramírez-Solís, A;Kirtman, B;Bernal-Jáquez, R;Zicovich-Wilson, C M; Periodic density functional theory calculations for Na-doped Quasi-one-dimensional polyacetylene chains. The Journal of Physical Chemistry C. American Chemical Society. 2008, 112 25 (9493 - 9500) 10.1021/jp077426l
2007
70. Herrera-Perez, G;Zicovich-Wilson, C M;Ramírez-Solís, A; Periodic DFT studies of AlPO-11: The role of hydration on structural properties. The Journal of Physical Chemistry C. ACS Publications. 2007, 111 27 (9664 - 9670) 10.1021/jp072004x
69. Ramírez-Solís, Alejandro;Caffarel, Michel; The application of quantum Monte Carlo to the spectroscopy of metallic molecules. Transworld Research Kerala, India. 2007, (1 - 18) HAL Id : hal-00967922
68. Maron, L;Ramírez-Solís, A; A new non-symmetric N (OH) 3 species: Comparison with the C 3 species and thermochemistry at the HF, DFT, MP2, MP4 and CCSD (T) levels of theory. Journal of Molecular Structure: THEOCHEM. Elsevier. 2007, 802 1 (111 - 115) 10.1016/j.theochem.2006.09.021
67. Ramírez-Solís, A; On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules. The Journal of chemical physics. AIP. 2007, 126 22 (224105 - 224105) 10.1063/1.2739539
66. Caffarel, Michel;Hernández-Lamoneda, Ramón;Scemama, Anthony;Ramírez-Solís, Alejandro; Multireference quantum Monte Carlo study of the O 4 molecule. Physical review letters. APS. 2007, 99 15 (153001 - 153001) 10.1103/PhysRevLett.99.153001
65. Maron, L;Ramírez-Solís, A; New nonsymmetric P (OH) 3 species. Comparison with the C 3 isomer and themochemistry at the DFT, MP2, and CCSD (T) levels of theory. The Journal of Physical Chemistry A. ACS Publications. 2007, 111 16 (3173 - 3177) 10.1021/jp070020o
64. Jolibois, F;Maron, L;Ramírez-Solís, A; Ab initio molecular dynamics evidence of a new stable symmetric C s structure for N (OH) 3. Chemical physics letters. Elsevier. 2007, 435 1 (34 - 38) 10.1016/j.cplett.2006.12.085
2006
63. Caffarel, Michel;Assaraf, R;Khelif, A;Scemama, A;Ramirez-Solis, A; A few aspects of QMC for molecules. Mathematical and Numerical Aspects of Quantum Chemistry Problems, Mathematisches Forschunginstitut Oberwolfach. 2006, (7 - 7)
62. Ramírez-Solís, A;Zicovich-Wilson, C M;Kirtman, B; Periodic hartree-fock and density functional theory calculations for Li-doped polyacetylene chains. The Journal of chemical physics. AIP. 2006, 124 24 (244703 - 244703) 10.1063/1.2208363
61. Ramírez-Solís, A;Poteau, R;Daudey, J P; The electronic spectrum of AgCl 2: Ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects. The Journal of chemical physics. AIP. 2006, 124 3 (34307 - 34307) 10.1063/1.2145879
60. Ramírez-Solís, A; The spectroscopy of copper and silver monohalides: what modern quantum chemistry can and cannot do. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). Springer Berlin/Heidelberg. 2006, 116 4 (641 - 654) 10.1007/s00214-006-0110-8
59. Ramírez-Solís, Alejandro;Hernández-Cobos, Jorge;Vargas, Cristina; A New Nonsymmetric As (OH) 3 Species. Comparison with the Known C 3 Species and Themochemistry at the HF, DFT (B3LYP), MP2, MP4, and CCSD (T) Levels of Theory. The Journal of Physical Chemistry A. ACS Publications. 2006, 110 24 (7637 - 7641) 10.1021/jp0601365
2005
58. Ramírez-Solís, A;Poteau, R;Vela, A;Daudey, J P; Comparative studies of the spectroscopy of Cu Cl 2: DFT versus standard ab initio approaches. The Journal of chemical physics. AIP. 2005, 122 16 (164306 - 164306) 10.1063/1.1883167
57. Esteves, P M;Araújo, C L;Horta, B A C;Alvarez, L J;Zicovich-Wilson, C M;Ramírez-Solís, A; The isobutylene− isobutane alkylation process in liquid HF revisited. The Journal of Physical Chemistry B. American Chemical Society. 2005, 109 26 (12946 - 12955) 10.1021/jp051567a
56. Esteves, Pierre M;Araújo, C. L.;Horta, Bruno A C;Alvarez, Luis J;Zicovich-Wilson, Claudio M;Ramírez-Solís, Alejandro; The Isobutylene−Isobutane alkylation process in liquid HF revisited. The Journal of Physical Chemistry B. AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA. 2005, 109 26 (12946 - 12955) 10.1021/jp051567a
55. Mota, Claudio J A;Bhering, Daniel L;Ramírez‐Solís, Alejandro; Activation of alkanes on zeolites: A DFT study of hydride abstraction and dehydrogenation on extra‐framework aluminum species. International journal of quantum chemistry. Wiley Online Library. 2005, 105 2 (174 - 185) 10.1002/qua.20668
54. Raynaud, Christophe;Maron, Laurent;Jolibois, Franck;Daudey, Jean-Pierre;Esteves, Pierre M;Ramírez-Solís, Alejandro; Ab initio molecular dynamics: Plane waves vs. local basis: The role of energy cutoff on the convergence of molecular properties. Chemical physics letters. Elsevier. 2005, 414 1 (161 - 165) 10.1016/j.cplett.2005.08.034
53. Caffarel, Michel;Daudey, Jean-Pierre;Heully, Jean-Louis;Ramírez-Solís, Alejandro; Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom. The Journal of chemical physics. AIP. 2005, 123 9 (94102 - 94102) 10.1063/1.2011393
2004
52. Ramírez-Solís, A; Ab initio study including spin–orbit effects on the B–X transition of AgI. The Journal of chemical physics. AIP. 2004, 120 5 (2319 - 2324) 10.1063/1.1637582
51. Ramírez-Solís, Alejandro;Daudey, Jean-Pierre; Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X2Π g-C2∆ g and X2Π g-D2∆ g transitions.. Journal of Chemical Physics, American Institute of Physics. 2004, 122 (014315 - 014315) https://hal.archives-ouvertes.fr/hal-00003672
50. Corrêa, Rodrigo J;Sousa-Aguiar, E Falabella;Ramírez-Solís, A;Zicovich-Wilson, Claudio;Mota, Claudio J A; DFT cluster calculations for alkali cation-exchanged zeolites interacting with ethylchloride and HCl. The Journal of Physical Chemistry B. ACS Publications. 2004, 108 30 (10658 - 10662) 10.1021/jp037353f
49. Ramírez-Solís, A;Daudey, J P; Ab initio study on the spectroscopy of CuCl2. I. Benchmark calculations on the X2Pig-2Sigmag+ transition.. The Journal of chemical physics. 2004, 120 7 (3221 - 3228) 10.1063/1.1640992
48. Hernández-Lamoneda, Ramón;Ramı́rez-Solı́s, Alejandro; Systematic ab initio calculations on the energetics and stability of covalent O 4. The Journal of chemical physics. AIP. 2004, 120 21 (10084 - 10088) 10.1063/1.1729923
47. Ramírez-Solís, Alejandro;Mukopadhyay, Rita;Rosen, Barry P;Stemmler, Timothy L; Experimental and theoretical characterization of arsenite in water: Insights into the coordination environment of As− O. Inorganic chemistry. American Chemical Society. 2004, 43 9 (2954 - 2959) 10.1021/ic0351592
2003
46. Ramírez-Solís, A; Ab initio study of the spectroscopy of AgI: A complete active space self-consistent field+ averaged coupled pair functional approach to the lowest excited states. The Journal of chemical physics. AIP. 2003, 118 1 (104 - 112) 10.1063/1.1524156
45. Fernández-Zertuche, Mario;López-Cortina, Susana;Meza-Aviña, Ma Elena;Ordóñez, Mario;Ramírez-Solís, Alejandro; Generation of alkoxyalkynylketenes from a bicyclic precursor. Cycloaddition chemistry with alkynes and theoretical studies regarding the formation of five- versus six-membered ring products. Arkivoc. ARKAT USA INC C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA. 2003, 2003 11 (89 - 89) 10.3998/ark.5550190.0004.b10
44. Bhering, Daniel L;Ramírez-Solís, Alejandro;Mota, Claudio J A; A density functional theory based approach to extraframework aluminum species in zeolites. The Journal of Physical Chemistry B. ACS Publications. 2003, 107 18 (4342 - 4347) 10.1021/jp022331z
2002
43. Ramírez-Solís, A; On the spectroscopy of AgCl: A complete active space self-consistent field+ averaged coupled pair functional study. The Journal of chemical physics. AIP. 2002, 117 3 (1047 - 1054) 10.1063/1.1484386
42. Luna-Garcıa, H;Ramírez-Solís, A;Castillo, S; Ab initio studies of the reactions of Cu (2 S, 2 D, and 2 P) with SiH 4 and GeH 4. The Journal of chemical physics. AIP. 2002, 116 3 (928 - 935) 10.1063/1.1427713
41. Esteves, Pierre M;Ramírez-Solís, Alejandro;Mota, Claudio J A; The nature of superacid electrophilic species in HF/SbF5: A density functional theory study. Journal of the American Chemical Society. ACS Publications. 2002, 124 11 (2672 - 2677) 10.1021/ja011151k
2001
40. Esteves, Pierre M;Alberto, Gabriel G P;Ramírez-Solís, Alejandro;Mota, Claudio J A; Ab initio study of the adamantonium cations: the protonated adamantane. The Journal of Physical Chemistry A. ACS Publications. 2001, 105 17 (4308 - 4311) 10.1021/jp003431c
39. Esteves, Pierre M;Ramírez-Solís, Alejandro;Mota, Claudio J A; DFT calculations on the protonation of alkanes on HF/SbF5 superacids using cluster models. The Journal of Physical Chemistry B. ACS Publications. 2001, 105 19 (4331 - 4336) 10.1021/jp004310f
38. Ramírez-Solís, A;Vallet, V;Teichteil, Ch;Leininger, T;Daudey, J P; Accurate ab initio study on the spectroscopy of Ag and Ag+ including spin-orbit couplings aimed at molecular calculations. The Journal of Chemical Physics. AIP. 2001, 115 7 (3201 - 3207) 10.1063/1.1386700
37. Poteau, Romuald;Ortega, Ivan;Alary, Fabienne;Solis, Alejandro Ramirez;Barthelat, Jean-Claude;Daudey, Jean-Pierre; Effective group potentials. 1. Method. The Journal of Physical Chemistry A. ACS Publications. 2001, 105 1 (198 - 205) 10.1021/jp002500k
36. Colmenares, F;Ramı́rez-Solı́s, A;Novaro, O; Theoretical study of the CuRu+ H 2 molecular interaction. Chemical physics letters. North-Holland. 2001, 345 1 (111 - 117) 10.1016/S0009-2614(01)00829-6
2000
35. Hernández-Lamoneda, R;Ramírez-Solís, A; Reactivity and electronic states of O 4 along minimum energy paths. The Journal of Chemical Physics. AIP. 2000, 113 10 (4139 - 4145) 10.1063/1.1288370
34. Esteves, Pierre M;Alberto, Gabriel G P;Ramírez-Solís, Alejandro;Mota, Claudio J A; The n-butonium cation (n-C4H11+): The potential energy surface of protonated n-butane. Journal of Physical Chemistry A. Washington, DC: American Chemical Society, c1997-. 2000, 104 26 (6233 - 6240) 10.1021/jp001152j
33. Fernández-Zertuche, Mario;Hernández-Lamoneda, Ramón;Ramírez-Solís, Alejandro; Cyclic allenes or diradicals in the cyclization reactions of dienynes generated by photolysis of alkynylcyclohexadienones. The Journal of organic chemistry. ACS Publications. 2000, 65 17 (5207 - 5211) 10.1021/jo000333e
32. Hernández-Lamoneda, R;Ramírez-Solís, A; Spin–orbit coupling in highly vibrationally excited O 2 (v) and O 2 (v= 0)–O 2 (v). Chemical Physics Letters. Elsevier. 2000, 321 3 (191 - 196) 10.1016/S0009-2614(00)00349-3
31. Esteves, Pierre M;Ramírez-Solís, Alejandro;Mota, Claudio J A; A theoretical study of alkane protonation in HF/SbF5 superacid system. Journal of the Brazilian Chemical Society. SciELO Brasil. 2000, 11 4 (345 - 348) 10.1590/S0103-50532000000400003
30. Ramírez-Solís, A;Daudey, J P; The spectroscopy of AgF: CASSCF+ CASPT2 calculations on the lowest 3 Σ+, 1 Σ+, 3 Π, 1 Π, 3 Δ, and 1 Δ excited states. The Journal of Chemical Physics. AIP. 2000, 113 19 (8580 - 8588) 10.1063/1.1318743
1999
29. Esteves, Pierre M;Alberto, Gabriel G P;Ramírez-Solís, Alejandro;Mota, Claudio J A; The alkane σ-bond basicity scale revisited. Journal of the American Chemical Society. ACS Publications. 1999, 121 32 (7345 - 7348) 10.1021/ja9906812
28. Luna-Garcıa, H;Castillo, S;Ramírez-Solís, A; Ab initio studies of the reactions of M (1 S, 3 P, and 1 P) with SiH 4 (M= Cd, Hg). The Journal of chemical physics. AIP. 1999, 110 23 (11315 - 11322) 10.1063/1.479072
1998
27. Periole, X;Allouche, D;Ramírez-Solís, A;Ortega-Blake, I;Daudey, J P;Sanejouand, Y H; New effective potentials extraction method for the interaction between cations and water. The Journal of Physical Chemistry B. ACS Publications. 1998, 102 43 (8579 - 8587) 10.1021/jp981688t
26. Esteves, Pierre M;Mota, Claudio J A;Ramírez-Solís, A;Hernández-Lamoneda, R; Potential energy surface of the C3H9+ cations. Protonated propane. Journal of the American Chemical Society. American Chemical Society. 1998, 120 13 (3213 - 3219) 10.1021/ja973784y
25. Esteves, Pierre M;Mota, Claudio J A;Ramírez-Solís, A;Hernández-Lamoneda, R; Mechanism of superacid catalyzed alkane activation: theoretical ab initio studies of pentacoordinated carbonium ion rearrangement. Topics in Catalysis. Kluwer Academic Publishers-Plenum Publishers. 1998, 6 1-4 (163 - 163) 10.1023/A:1019166423058
1997
24. Alvarez, Luis Javier;Ramírez-Solís, Alejandro;Giral, Pedro Bosch; Mechanisms of formation of extraframework Al2O3 in zeolites. Zeolites. Elsevier. 1997, 18 1 (54 - 62) 10.1016/S0144-2449(96)00105-4
23. Mota, Claudio J A;Esteves, Pierre M;Ramírez-Solís, A;Hernández-Lamoneda, R; Protonated isobutane. A theoretical ab initio study of the isobutonium cations. Journal of the American Chemical Society. ACS Publications. 1997, 119 22 (5193 - 5199) 10.1021/ja963767t
22. Luna-Garcıa, H;Castillo, S;Ramírez-Solís, A; Ab initio study of the reactions of Zn (1 S, 3 P, and 1 P) with SiH 4. The Journal of chemical physics. AIP. 1997, 107 17 (6627 - 6633) 10.1063/1.474905
1996
21. Ramírez-Solís, A;Hernandez-Lamoneda, RAMÓN; Localized orbitals for molecular calculations. Revista Mexicana de Fisica. SOCIEDAD MEXICANA DE FISICA. 1996, 42 (911 - 923) http://rmf.smf.mx/pdf/rmf/42/6/42_6_911.pdf
20. Saint-Martin, Humberto;Ruiz-Vicent, Luis E;Ramírez-Solís, Alejandro;Ortega-Blake, Iván; Toward an Understanding of the Hydrolysis of Mg− PPi. An ab Initio Study of the Isomerization Reactions of Neutral and Anionic Mg− Pyrophosphate Complexes. J. Am. Chem. Soc. American Chemical Society. 1996, 118 48 (12167 - 12173) 10.1021/ja960930b
1995
19. Castillo, S;Cruz, A;Cuan, A;Ramírez‐Solís, A;Poulain, E;Del Angel, G; Theoretical study of the rhodium dimer interaction with the hydrogen molecule. International Journal of Quantum Chemistry. Wiley Online Library. 1995, 56 S29 (549 - 557) 10.1002/qua.560560858
18. Aguilar-Rios, G;Valenzuela, M;Salas, P;Armendariz, H;Bosch, P;Del Toro, G;Silva, R;Bertin, V;Castillo, S;Ramírez-Solís, A; Hydrogen interactions and catalytic properties of platinum-tin supported on zinc aluminate. Applied Catalysis A: General. Elsevier. 1995, 127 1 (65 - 75) 10.1016/0926-860X(95)00269-3
17. Ramírez‐Solís, A;Schamps, J; Ab initio study of the three lowest‐lying (X 1Σ+, 3Σ+, and 1Σ+) electronic states of AgF. The Journal of chemical physics. AIP. 1995, 102 11 (4482 - 4490) 10.1063/1.469496
1994
16. Castillo, S;Ramírez-Solís, A;Diaz, D;Poulain, E;Novaro, O; Theoretical study of the activation of methane by photoexcited zinc atoms. Molecular Physics. Taylor & Francis. 1994, 81 4 (825 - 836) 10.1080/00268979400100551
15. Ramírez‐Solís, Alejandro;Castillo A, Sidonio; Accurate spectroscopic constants for the Cd (1 S, 3 P, 1 P)–H2 van der Waals complexes: A theoretical study. The Journal of chemical physics. AIP. 1994, 100 11 (8251 - 8256) 10.1063/1.466768
14. Lopez, T;Gomez, R;Ramírez-Solís, A;Poulain, E;Novaro, O; Li/MgO sol-gel catalysts. Journal of molecular catalysis. Elsevier. 1994, 88 1 (71 - 84) 10.1016/0304-5102(93)E0254-E
1993
13. Castillo, S;Ramírez‐solís, A;Poulain, E; Theoretical study of the reaction of Cd (1S, 3P, 1P) with the methane molecule. International Journal of Quantum Chemistry. Wiley Online Library. 1993, 48 S27 (587 - 598) 10.1002/qua.560480853
12. Ramírez-Solís, Alejandro; Evolution of the Σ+ 1 radiative lifetime of copper halides. Physical Review A. APS. 1993, 47 2 (1510 - 1510) 10.1103/PhysRevA.47.1510
11. Ramírez‐Solís, Alejandro;Castillo A, Sidonio; C 3 v versus C 2 v Cd (1 S, 3 P, 1 P)–CH4 van der Waals complexes: A variational and perturbational multireference configuration interaction study. The Journal of chemical physics. AIP. 1993, 98 10 (8065 - 8069) 10.1063/1.464562
1992
10. Ramírez-Solís, Alejandro; Localized orbitals for molecular calculations.. Revista Mexicana de Física. 1992, 38 (179 - 204) http://rmf.smf.mx/pdf/rmf/38/2/38_2_179.pdf
9. Martínez‐Magadán, J M;Ramírez‐Solís, A;Novaro, O; Theoretical study of the interaction of Ga. Ga+, and Ga2+ with the hydrogen molecule. International Journal of Quantum Chemistry. Wiley Online Library. 1992, 44 S26 (781 - 791) 10.1002/qua.560440869
8. Delaval, J M;Schamps, J;Ramírez‐Solís, A;Daudey, J P; Radiative lifetimes of the excited electronic states of CuCl. The Journal of chemical physics. AIP. 1992, 97 9 (6588 - 6592) 10.1063/1.463662
7. Ramírez-Solís, A;Schamps, J;Delaval, J. M.; MCSCF+ MRCI calculation of diagonal and transition dipole moments in CuCl. Chemical physics letters. North-Holland. 1992, 188 5-6 (599 - 603) 10.1016/0009-2614(92)80873-A
1991
6. Martinez-Magadan, J M;Ramírez-Solís, A;Novaro, O; MCSCF+ MRCI study of the interaction of Zn, Zn+ and Zn2+ with the hydrogen molecule. Chemical physics letters. North-Holland. 1991, 186 1 (107 - 112) 10.1016/0009-2614(91)80199-8
1990
5. Ramírez Solís, A;Daudey, J P;Teichteil, C; Multiconfigurational self‐consistent field–multireference configuration interaction study of the spectroscopy of CuI including spin–orbit couplings. The Journal of chemical physics. AIP. 1990, 93 10 (7277 - 7283) 10.1063/1.459399
4. Ramirez-Solis, A;Daudey, J P; Theoretical calculation of transition energies of low-lying electronic states of the CuCl molecule. Journal of Physics B: Atomic, Molecular and Optical Physics. IOP Publishing. 1990, 23 14 (2277 - 2277) http://iopscience.iop.org/0953-4075/23/14/016
3. Ramírez-Solís, A;Daudey, J P;Novaro, O;Ruiz, M E; Nonadditivity and the stability of Ag3. A multireference configuration interaction study. Zeitschrift für Physik D Atoms, Molecules and Clusters. Springer. 1990, 15 1 (71 - 78) 10.1007/BF01436913
1989
2. Ramírez-Solís, A;Daudey, J P; Theoretical study of the spectroscopy of low-lying electronic states of the CuF molecule. Chemical Physics. North-Holland. 1989, 134 1 (111 - 118) 10.1016/0301-0104(89)80242-3
1987
1. Ramírez-Solís, A;Novaro, O;Ruiz, M E; Stability of Cu 3: A variational and perturbational configuration-interaction study. Physical Review B. APS. 1987, 35 8 (4082 - 4082) 10.1103/PhysRevB.35.4082

Libros, capítulos de libros y publicaciones no arbitradas

2015
3. Amaro-Estrada, J I;Ramírez-Solís, A; Theoretical studies of the solvation of abundant toxic mercury species in aqueous media. Quantum Modeling of Complex Molecular Systems. Springer International Publishing. 2015, (275 - 301) 10.1007/978-3-319-21626-3_10
2001
2. Lopes Bhering, D.;Mota, C.J.A.;Ramirez-Solís, A.; 15-P-21 - Ab-initio investigation of non-framework aluminum species in zeolites. Studies in Surface Science and Catalysis. Elsevier. 2001, 135 (261 - 261) 10.1016/S0167-2991(01)81560-3
1993
1. Gomez, R.;Lopez, T.;Herrera, L;Castro, A.A.;Scelza, O;Baronetti, G;Lazzari, E;Cuan, A;Campos, M;Poulain, E;Ramirez-Solis, A.;Novaro, O.; Oxidative coupling of methane over Sol-Gel magnesium oxide catalysts: effect on selectivity to olefin formation. Studies in Surface Science and Catalysis. Elsevier. 1993, 75 (2213 - 2216) 10.1016/S0167-2991(08)64263-9