Publications
Planar Hypercoordinate Carbon Atoms | A Wankel Motor | |
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Noble Gas Compounds | Clusters | Aromaticity |
The Induced Magnetic Field |
2024
https://doi.org/10.1039/D4NR03696D
https://doi.org/10.26434/chemrxiv-2024-nb9r6
https://doi.org/10.1039/D4CC05041J
https://doi.org/10.1002/anie.202416833
https://doi.org/10.1002/anie.202416057
https://doi.org/10.1021/acs.jpca.4c04804
https://doi.org/10.1021/acs.jctc.4c00926
https://doi.org/10.1021/acs.inorgchem.4c04006
https://doi.org/10.1002/anie.202415789
https://doi.org/10.1039/D4CC02780A
https://doi.org/10.1021/acs.jpca.4c04102
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.
https://doi.org/10.1039/D4SC02269F
https://doi.org/10.1021/jacs.4c03977
https://doi.org/10.1021/acs.jctc.4c00365
https://doi.org/10.1002/cphc.202400324
https://doi.org/10.1039/D4CP00029C
https://doi.org/10.1002/cptc.202300243
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.
https://doi.org/10.1021/acs.joc.3c02485
https://doi.org/10.1002/anie.202317848
2023
https://doi.org/10.1039/D3SC90163G
https://doi.org/10.1039/D3CP04247B
https://doi.org/10.1039/D3DT02652C
https://doi.org/10.1039/D3RA05117J
https://doi.org/10.1002/qua.27194
https://doi.org/10.1021/acs.cgd.3c00650
https://doi.org/10.1002/chem.202301338
https://doi.org/10.1039/D2SC05939H
https://doi.org/10.1002/anie.202304997
https://doi.org/10.1016/j.matt.2023.02.014
https://doi.org/10.1039/D2SC04998H
https://doi.org/10.1039/D3CC00855J
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.
https://doi.org/10.1002/cphc.202200601
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.
https://doi.org/10.1002/cphc.202200582
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.
https://doi.org/10.1002/jcc.26875
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.
https://doi.org/10.1002/jcc.26843
2022
https://doi.org/10.1002/poc.4427
https://doi.org/10.1002/anie.202208152
https://doi.org/10.1039/D1NR08433J
https://doi.org/10.1039/D2SC01761J
https://doi.org/10.1039/D1CP05713H
https://doi.org/10.1039/D1CS00747E
https://doi.org/10.1021/acs.cgd.1c01194
https://doi.org/10.1002/wcms.1583
2021
https://doi.org/10.1039/D1RA90175C
218. M. Orozco-Ic, G. Merino "The magnetic response of starphenes" Chemistry 2021, 3, 1381-1391.
https://doi.org/10.3390/chemistry3040099
https://doi.org/10.1002/chem.202102864
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.
https://doi.org/10.1039/D1CC04036G
https://doi.org/10.1016/j.bioorg.2021.105189
https://doi.org/10.1039/D1SC02673A
https://doi.org/10.1021/acs.jpca.1c03555
https://doi.org/10.3389/fchem.2021.658318
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.
https://doi.org/10.1002/qua.26684
https://doi.org/10.1039/D1SC01325D
https://doi.org/10.1021/acs.jpca.1c02002
https://doi.org/10.1002/anie.202100940
https://doi.org/10.1039/D0RA90134B
https://doi.org/10.1039/D0SC05899H
2020
https://doi.org/10.1021/acs.joc.0c02196
https://doi.org/10.1039/D0CC06107G
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.
https://doi.org/10.1103/PhysRevLett.125.196401
https://doi.org/10.1039/D0SC01701A
https://doi.org/10.1039/D0CP02750B
https://doi.org/10.1039/D0SC02507K
https://doi.org/10.1039/D0CC02973D
https://doi.org/10.1021/acs.jcim.0c00293
https://doi.org/10.1039/D0CP01603A
https://doi.org/10.1039/D0CE00423E
https://doi.org/10.1002/open.202000105
transitions" Chem. Eur. J. 2020, 26, 11727-11733.
https://doi.org/10.1002/chem.202001156
https://doi.org/10.1007/s00214-020-2548-5
https://doi.org/10.3390/molecules25020284
https://doi.org/10.1039/C9DT04213J
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.
https://doi.org/10.1002/cphc.201900998
https://doi.org/10.1002/chem.201904390
2019
https://doi.org/10.1039/C9CC05672F
https://doi.org/10.1039/C9CC06470B
https://doi.org/10.1021/acs.jpca.9b07033
https://doi.org/10.1021/acs.accounts.9b00336
https://doi.org/10.3390/molecules24162933
https://doi.org/10.1039/C9CC03732B
https://doi.org/10.1002/anie.201900992
https://doi.org/10.1039/C8SC04398A
https://doi.org/10.1039/C9CP00201D
https://doi.org/10.1002/pola.29355
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