Publications
Planar Hypercoordinate Carbon Atoms | A Wankel Motor | |
---|---|---|
Noble Gas Compounds | Clusters | Aromaticity |
The Induced Magnetic Field |
2024
257. L. Noriega, L. González-Ortiz, F. Ortíz-Chi, A. Quintal, S. Ramírez, G. Merino "C3H8O2 Isomers: Insights into Potential Interstellar Species" J. Phys. Chem. 2024, Accepted
256. E. Dzib, A. Quintal, G. Merino "Enhancing Eyringpy: Accurate Rate Constants with Canonical Variational Transition State Theory and the Hindered Rotor Model" J. Chem. Theory Comput. 2024, Accepted
251. M. Orozco-Ic, L. Soriano-Agueda, D. Sundholm, E. Matito, G. Merino "Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments" Chem. Sci., 2024, 15, 12906-12921.
245. M. Orozco-Ic, L. Soriano-Agueda, S. Escayola, D. Sundholm, G. Merino, E. Matito "Understanding aromaticity in [5]helicene-bridged cyclophanes: A comprehensive study" J. Org. Chem. 2024, 89, 4, 2459–2466
2023
243. M. Solà, I. Fernández, G. Merino "Emerging Frontiers in Aromaticity" Chem. Sci. 2023,14, 9628-9629
231. R. Pino Rios, A. Vásquez-Espinal, S. Pan, E. Cerpa, W. Tiznado, G. Merino "BH4Ng+ (Ar–Rn): Viable compounds with a B-Ng covalent bond" ChemPhysChem 2023, 24, e202200601.
230. A. Vargas-Caamal, E. Dzib, F. Ortiz-Chi, A. Restrepo, G. Merino "Acid dissociation in (HX)n(H2O)n clusters (X=F, Cl, Br, I; n=2, 3)" ChemPhysChem 2023, 24, e202200582.
229. A. Morin-Martinez, J. Arcudia, X. Zarate, M. E. Cifuentes-Quintal, G. Merino "The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH2 monolayers" J. Comput. Chem. 2023, 44 (3), 248.
228. M. Yañez, F. Ortiz-Chi, G. Merino, I. Alkorta "Dismantlement of ammonia upon interaction with Ben (n < 10) clusters" J. Comput. Chem. 2023, 44 (3), 159.
2022
2021
218. M. Orozco-Ic, G. Merino "The magnetic response of starphenes" Chemistry 2021, 3, 1381-1391.
216. S. Kozuch, A. Karton, S. Jalife, G. Merino, "Fluxionality by quantum tunnelling: Nonclassical 21-homododecahedryl cation rearrangement re-revisited" Chem. Commun. 2021, 57, 10735-10738.
213. M. Orozco-Ic, M. Dimitrova, J. Barroso, D. Sundholm, G. Merino "Magnetically induced ring-current strengths of planar and nonplanar molecules: New insights from the pseudo- model" J. Phys. Chem. A 2021, 125, 5753–5764.
211. A. Quintal, E. Dzib, F. Ortíz-Chi, P. Jaque, A. Restrepo, G. Merino "Automating the IRC-analysis within Eyringpy" Int. J. Quantum Chem. 2021, 121, e26684.
2020
205. A. Kaspi-Kaneti, J. Barroso, G. Merino, D. Avnir, I. Garzon, I. Tuvi-Arad "Head to tail distortion wave characterizes the enantiomerization of helicenes" J. Org. Chem. 2020, 23, 15415–15421.
203. J. Arcudia, R. Kempt, M. E. Cifuentes-Quintal, T. Heine, G. Merino "Blue phosphorene bilayer is a two-dimensional metal: An unambiguous classification scheme for buckled hexagonal bilayers" Phys. Rev. Lett. 2020, 125, 196401.
transitions" Chem. Eur. J. 2020, 26, 11727-11733.
190. O. Yañez, R. Baez-Grez, J. Garza, S. Pan, J. Barroso, A. Vasquez-Espinal, G. Merino W. Tiznado "Embedding a planar hypercoordinate carbon atom into a [4n+2] π-system" ChemPhysChem 2020, 21, 145-148.
2019
171. Q. Xie, T. Sun, M. Orozco-Ic, J. Barroso, Y. Zhao, G. Merino, J. Zhu "Probing hyperconjugative aromaticity of monosubstituted cyclopentadiene" Asian J. Org. Chem. 2018, 8, 123-127.
2018
2017
151. P. L. Rodriguez-Kessler, S. Pan, E. Florez, J. L. Cabellos, G. Merino "Structural evolution of the rhodium-doped silver clusters AgnRh (n ≤ 15) and their reactivity toward NO" J. Phys. Chem. C 2017, 121, 19420-19427
149. G. Jana, S. Pan, G. Merino, P. K. Chattaraj "MNgCCH (M= Cu, Ag, Au; Ng= Xe, Rn): The first set of compounds with M-Ng-C bonding motif" J. Phys. Chem. A 2017, 121, 6491-6499.
148. Z. Hua-Jin, G. Jin-Chang, F. Lin-Yan, W. Ying-Jin, S. Jalife, A. Vasquez-Espinal, J. L. Cabellos, S. Pan, G. Merino "Coaxial triple-layered versus helical Be6B11- cluster: Dual structural fluxionality and multifold aromaticity" Angew. Chem. Int. Ed. 2017, 129, 10308-10311.
147. Mata-Cruz, A. Vargas-Caamal, B. Yañez-Soto, A. Lopez-Valdivieso, G. Merino, M. Quintana "Mimicking rose petal wettability by chemical modification of graphene films" Carbon 2017, 121, 472-478.
146. J. Poater, J. Paauwe, S. Pan, G. Merino, C. Fonseca-Guerra, F. M. Bickelhaupt "Kekulene: Structure, stability and nature of H...H interactions in large PAHs" Mol. Astrophys. 2017, 8, 19-26.
145. S. H. Martinez, S. Pan, J. L. Cabellos, E. Dzib, M. A. Fernandez-Herrera, G. Merino "Importance of dispersion on the stability of the concave-bound CpM (M= Fe, Ru, Os) complexes of sumanene" Organometallics 2017, 36, 2036-2041.
144. R. Saha, S. Kar, S. Pan, G. Martinez-Guajardo, G. Merino, P. K. Chattaraj "A spinning umbrella: Carbon monoxide and dinitrogen bound MB12- clusters (M= Co, Rh, Ir)" J. Phys. Chem. A 2017, 121, 2971-2979.
143. O. Yañez, A. Vasquez-Espinal, R. Pino-Rios, F. Ferraro, S. Pan, E. Osorio, G. Merino, W. Tiznado "Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons" Chem. Commun. 2017, 53, 12112-12115.
142. S. Pan, G. Jana, A. Gupta, G. Merino, P. K. Chattaraj "Endohedral gas adsorption by cucurbit [7] uril: A theoretical study" Phys. Chem. Chem. Phys. 2017, 19, 24448-24452.
141. F. Murillo, A. Vargas, S. Pan, J. L. Cabellos, M. Mora-Fonz, A. Muñoz-Castro, A. Restrepo, G. Merino "Does H4SO5 exist?" Phys. Chem. Chem. Phys. 2017, 19, 17088-17093.
140. S. Pan, R. Saha, E. Osorio, P. K. Chattaraj, G. Frenking, G. Merino "Ligand-supported E3 clusters (E= Si-Sn)" Chem. Eur. J. 2017, 23, 7463-7473.
139. R. Saha, S. Pan, G. Frenking, P. K. Chattaraj, G. Merino "The strongest CO binding and the highest C-O stretching frequency" Phys. Chem. Chem. Phys. 2017, 19, 2286-2293.
138. Z.-H. Cui, V. Vassilev-Galindo, J. L. Cabellos, E. Osorio, M. Orozco, S. Pan, Y.-H. Ding, G. Merino "Planar pentacoordinate carbon atoms embedded in a metallocene framework" Chem. Commun. 2017, 53, 138-141.
137. J. Barroso, S. Mondal, J. L. Cabellos, E. Osorio, S. Pan, G. Merino "Structure and bonding of alkali pentalenides" Organometallics 2017, 36, 310-317.
2016
2015
2014
2013
2012
58. R. Islas, T. Heine, G. Merino “The induced magnetic field” Acc. Chem. Res. 2012, 45, 215.
2011
2010
2009
2008
2007
1999-2006