Trabajos de Miquel Sola

Chemistry


  Listando 93 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
Mentions   0   Wikipedia   0   News   0   Policy
Article Guidelines for Tuning the Excited State Huckel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds** Escayola, Silvia; Tonnele, Claire; Matito, Eduard; Poater, Albert; Ottosson, Henrik; Sola, Miquel; Casanova, David ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202100261
Mentions   0   Wikipedia   1   News   0   Policy
Article Do Carbon Nano-onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C-60, C-240, C-60@C-240, Li+@C-60, Li+@C-240, and Li+@C-60@C-240 Antonio Luque-Urrutia, Jesus; Poater, Albert; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201904650 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Path-dependency of energy decomposition analysis & the elusive nature of bonding Poater, Jordi; Andrada, Diego M.; Sola, Miquel; Foroutan-Nejad, Cina PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021) DOI / 10.1039/d1cp04135e
Mentions   0   Wikipedia   2   News   0   Policy
Editorial Material Why Aromaticity Is a Suspicious Concept? Why? Sola, Miquel FRONTIERS IN CHEMISTRY 2296-2646 (2017) DOI / 10.3389/fchem.2017.00022 Green published, Gold
Mentions   0   Wikipedia   0   News   0   Policy
Article Initiating Electron Transfer in Doubly Curved Nanographene Upon Supramolecular Complexation of C-60 Zank, Simon; Fernandez-Garcia, Jesus M.; Stasyuk, Anton J.; Voityuk, Alexander A.; Krug, Marcel; Sola, Miquel; Guldi, Dirk M.; Martin, Nazario ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021) DOI / 10.1002/anie.202112834
Mentions   0   Wikipedia   0   News   0   Policy
Article An unprecedented pi-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene Escayola, Silvia; Poater, Albert; Munoz-Castro, Alvaro; Sola, Miquel CHEMICAL COMMUNICATIONS 1359-7345 (2021) DOI / 10.1039/d1cc00593f
Mentions   0   Wikipedia   0   News   0   Policy
Article Predictive Catalysis in Olefin Metathesis with Ru-based Catalysts with Annulated C-60 Fullerenes in the N-heterocyclic Carbenes Martinez, Juan Pablo; Sola, Miquel; Poater, Albert CHEMISTRY-A EUROPEAN JOURNAL (2021) DOI / 10.1002/chem.202100840
Mentions   2   Wikipedia   0   News   0   Policy
Article Cyclo[18]carbon: the smallest all-carbon electron acceptor Stasyuk, Anton J.; Stasyuk, Olga A.; Sola, Miquel; Voityuk, Alexander A. CHEMICAL COMMUNICATIONS 1359-7345 (2020) DOI / 10.1039/c9cc08399e Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article All-metal Baird aromaticity Chen, Dandan; Szczepanik, Dariusz W.; Zhu, Jun; Sola, Miquel CHEMICAL COMMUNICATIONS 1359-7345 (2020) DOI / 10.1039/d0cc05586g Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4n pi- and (4n+2)pi-Rings? Ayub, Rabia; El Bakouri, Ouissam; Jorner, Kjell; Sola, Miguel; Ottosson, Henrik JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2017) DOI / 10.1021/acs.joc.7b00906 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes Poater, Jordi; Vinas, Clara; Bennour, Ines; Escayola Gordils, Silvia; Sola, Miquel; Teixidor, Francesc JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2020) DOI / 10.1021/jacs.0c02228 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields Besalu-Sala, Pau; Sola, Miquel; Luis, Josep M.; Torrent-Sucarrat, Miquel ACS CATALYSIS (2021) DOI / 10.1021/acscatal.1c04247
Mentions   0   Wikipedia   1   News   0   Policy
Review Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity Sola, Miquel WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1759-0876 (2019) DOI / 10.1002/wcms.1404 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Open-shell jellium aromaticity in metal clusters Poater, Jordi; Sola, Miquel CHEMICAL COMMUNICATIONS 1359-7345 (2019) DOI / 10.1039/c9cc02067e Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article All-Fullerene Electron Donor-Acceptor Conjugates Izquierdo, Marta; Platzer, Benedikt; Stasyuk, Anton J.; Stasyuk, Olga A.; Voityuk, Alexander A.; Cuesta, Sergio; Sola, Miquel; Guldi, Dirk M.; Martin, Nazario ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2019) DOI / 10.1002/anie.201901863 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Analysis of the electronic delocalization in some isoelectronic analogues of B-12 doped with beryllium and/or carbon Islas, Rafael; Inostroza, Diego; Arias-Olivares, David; Zuniga-Gutierrez, Bernardo; Poater, Jordi; Sola, Miquel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2020) DOI / 10.1039/d0cp01844a Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Mechanism of the Facile Nitrous Oxide Fixation by Homogeneous Ruthenium Hydride Pincer Catalysts Escayola, Silvia; Sola, Miguel; Poater, Albert INORGANIC CHEMISTRY 0020-1669 (2020) DOI / 10.1021/acs.inorgchem.0c01252 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article The nido-Cage...pi Bond: A Non-covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications Tu, Deshuang; Yan, Hong; Poater, Jordi; Sola, Miquel ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.201915290 Green submitted
Mentions   0   Wikipedia   1   News   0   Policy
Article Cycloaddition of CO2 to epoxides by highly nucleophilic 4-aminopyridines: establishing a relationship between carbon basicity and catalytic performance by experimental and DFT investigations Natongchai, Wuttichai; Luque-Urrutia, Jesus Antonio; Phungpanya, Chalida; Sola, Miquel; D'Elia, Valerio; Poater, Albert; Zipse, Hendrik ORGANIC CHEMISTRY FRONTIERS 2052-4129 (2021) DOI / 10.1039/d0qo01327g
Mentions   0   Wikipedia   0   News   0   Policy
Article The energy components of the extended transition state energy decomposition analysis are path functions: the case of water tetramer Sola, Miquel; Duran, Miquel; Poater, Jordi THEORETICAL CHEMISTRY ACCOUNTS 1432-881X (2021) DOI / 10.1007/s00214-021-02730-3
Mentions   0   Wikipedia   0   News   0   Policy
Article Electron Delocalization in Planar Metallacycles: Huckel or Mobius Aromatic? Szczepanik, Dariusz W.; Sola, Miquel CHEMISTRYOPEN 2191-1363 (2019) DOI / 10.1002/open.201900014 Green published, Gold
Mentions   0   Wikipedia   0   News   0   Policy
Article The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity Szczepanik, Dariusz W.; Andrzejak, Marcin; Dominikowska, Justyna; Pawelek, Barbara; Krygowski, Tadeusz M.; Szatylowicz, Halina; Sola, Miquel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c7cp06114e Green published, Hybrid
Mentions   0   Wikipedia   1   News   0   Policy
Article Photoinduced electron transfer in nano-Saturn complexes of fullerene Stasyuk, O. A.; Stasyuk, A. J.; Sola, M.; Voityuk, A. A. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2021) DOI / 10.1039/d0cp05919f
Mentions   0   Wikipedia   0   News   0   Policy
Article A Rh-Catalyzed Cycloisomerization/Diels-Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles Artigas, Albert; Vila, Jordi; Lledo, Agusti; Sola, Miguel; Pla-Quintana, Anna; Roglans, Anna ORGANIC LETTERS 1523-7060 (2019) DOI / 10.1021/acs.orglett.9b02032 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Double-Carrousel Mechanism for Mn-Catalyzed Dehydrogenative Amide Synthesis from Alcohols and Amines Luque-Urrutia, Jesus A.; Pelachs, Tania; Sola, Miquel; Poater, Albert ACS CATALYSIS 2155-5435 (2021) DOI / 10.1021/acscatal.1c00693
Mentions   0   Wikipedia   0   News   0   Policy
Article Examining the Factors That Govern the Regioselectivity in Rhodium-Catalyzed Alkyne Cyclotrimerization Torres, Oscar; Fernandez, Marti; Diaz-Jimenez, Alex; Pla-Quintana, Anna; Roglans, Anna; Sola, Miguel ORGANOMETALLICS 0276-7333 (2019) DOI / 10.1021/acs.organomet.9b00347 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Review Mechanistic Studies of Transition-Metal-Catalyzed [2+2+2] Cycloaddition Reactions Roglans, Anna; Pla-Quintana, Anna; Sola, Miquel CHEMICAL REVIEWS 0009-2665 (2021) DOI / 10.1021/acs.chemrev.0c00062
Mentions   0   Wikipedia   0   News   0   Policy
Article Expeditious Preparation of Open-Cage Fullerenes by Rhodium(I)-Catalyzed [2+2+2] Cycloaddition of Diynes and C-60: An Experimental and Theoretical Study Artigas, Albert; Pla-Quintana, Anna; Lledo, Agusti; Roglans, Anna; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201802298 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Regioselectivity of the Pauson-Khand reaction in single-walled carbon nanotubes Pablo Martinez, Juan; Vizuete, Maria; Arellano, Luis M.; Poater, Albert; Matthias Bickelhaupt, F.; Langa, Fernando; Sola, Miguel NANOSCALE 2040-3364 (2018) DOI / 10.1039/c8nr03480j Green published, Green submitted, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Synthesis of Fused Dihydroazepine Derivatives of Fullerenes by a Rh-Catalyzed Cascade Process Artigas, Albert; Castanyer, Cristina; Roig, Nil; Lledo, Agusti; Sola, Miquel; Pla-Quintana, Anna; Roglans, Anna ADVANCED SYNTHESIS & CATALYSIS 1615-4150 (2021) DOI / 10.1002/adsc.202100644 Green published, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Tuning the Strength of the Resonance-Assisted Hydrogen Bond in o-Hydroxybenzaldehyde by Substitution in the Aromatic Ring Pareras, Gerard; Palusiak, Marcin; Duran, Miguel; Sola, Miguel; Simon, Silvia JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2018) DOI / 10.1021/acs.jpca.7b12066 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Is Excited-State Aromaticity a Driving Force for Planarization of Dibenzannelated 8 pi-Electron Heterocycles? Toldo, Josene; El Bakouri, Ouissam; Sola, Miquel; Norrby, Per-Ola; Ottosson, Henrik CHEMPLUSCHEM 2192-6506 (2019) DOI / 10.1002/cplu.201900066 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Regioselectivity in Diels-Alder Cycloadditions of C-#6094(68) Fullerene with a Triplet Ground State Artigas, Albert; Fernandez, Israel; Sola, Miguel JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2019) DOI / 10.1021/acs.joc.9b00921 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs Stasyuk, Olga A.; Sola, Miquel; Swart, Marcel; Fonseca Guerra, Celia; Krygowski, Tadeusz Marek; Szatylowicz, Halina CHEMPHYSCHEM 1439-4235 (2020) DOI / 10.1002/cphc.202000434
Mentions   0   Wikipedia   0   News   0   Policy
Article Iodane-GuidedorthoC-H Allylation Chen, Wei W.; Cunillera, Anton; Chen, Dandan; Lethu, Sebastien; Lopez de Moragas, Albert; Zhu, Jun; Sola, Miquel; Cuenca, Ana B.; Shafir, Alexandr ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.202009369 Green accepted, Green submitted
Mentions   0   Wikipedia   0   News   0   Policy
Article Tuning the Strength of the Resonance-Assisted Hydrogen Bond in Acenes and Phenacenes with Two o-Hydroxyaldehyde Groups-The Importance of Topology Pareras, Gerard; Szczepanik, Dariusz W.; Duran, Miguel; Sola, Miguel; Simon, Silvia JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2019) DOI / 10.1021/acs.joc.9b02526 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Aromaticity of nucleic acid bases Szatylowicz, Halina; Stasyuk, Olga A.; Sola, Miquel; Krygowski, Tadeusz M. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1759-0876 (2020) DOI / 10.1002/wcms.1509
Mentions   0   Wikipedia   0   News   0   Policy
Article Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations Besalu-Sala, Pau; Voityuk, Alexander A.; Luis, Josep M.; Sola, Miquel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2021) DOI / 10.1039/d0cp06510b
Mentions   0   Wikipedia   0   News   0   Policy
Article A Rh(I)-Catalyzed Cascade Cyclization of 1,5-Bisallenes and Alkynes for the Formation of cis-3,4-Arylvinyl Pyrrolidines and Cyclopentanes Vila, Jordi; Vinardell, Roger; Sola, Miquel; Pla-Quintana, Anna; Roglans, Anna ADVANCED SYNTHESIS & CATALYSIS 1615-4150 (2021) DOI / 10.1002/adsc.202100934
Mentions   0   Wikipedia   0   News   0   Policy
Article Mechanism of the Selective Fe-Catalyzed Arene Carbon-Hydrogen Bond Functionalization Postils, Veronica; Rodriguez, Monica; Sabenya, Gerard; Conde, Ana; Mar Diaz-Requejo, M.; Perez, Pedro J.; Costas, Miguel; Sola, Miguel; Luis, Josep M. ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.7b03935 Green accepted, Green submitted
Mentions   0   Wikipedia   0   News   0   Policy
Article Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character El Bakouri, Ouissam; Postils, Veronica; Garcia-Borras, Marc; Duran, Miquel; Luis, Josep M.; Calvello, Simone; Soncini, Alessandro; Matito, Eduard; Feixas, Ferran; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201800878 Green accepted, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Electron-Pair Distribution in Chemical Bond Formation Rodriguez-Mayorga, M.; Via-Nadal, M.; Sola, M.; Ugalde, J. M.; Lopez, X.; Matito, E. JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2018) DOI / 10.1021/acs.jpca.7b12556 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Reactivity of the superhalogen/superalkali ion encapsulating C-60 fullerenes George, Gibu; Stasyuk, Anton J.; Sola, Miquel DALTON TRANSACTIONS 1477-9226 (2021) DOI / 10.1039/d1dt03577k
Mentions   0   Wikipedia   0   News   0   Policy
Article How Do Defects in Carbon Nanostructures Regulate the Photoinduced Electron Transfer Processes? The Case of Phenine Nanotubes Stasyuk, Olga A.; Stasyuk, Anton J.; Sola, Miquel; Voityuk, Alexander A. CHEMPHYSCHEM 1439-4235 (2021) DOI / 10.1002/cphc.202100285 Hybrid, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its pi-Aromatic Circuits Chen, Dandan; Szczepanik, Dariusz W.; Zhu, Jun; Munoz-Castro, Alvaro; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2020) DOI / 10.1002/chem.202004322 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Photoinduced electron transfer in non-covalent complexes of C-60 and phosphangulene oxide derivatives Stasyuk, A. J.; Stasyuk, O. A.; Sola, M.; Voityuk, A. A. DALTON TRANSACTIONS 1477-9226 (2021) DOI / 10.1039/d1dt02034j
Mentions   0   Wikipedia   0   News   0   Policy
Article [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer Stasyuk, Olga A.; Stasyuk, Anton J.; Sola, Miquel; Voityuk, Alexander A. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2021) DOI / 10.1002/chem.202005516 Green published, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Understanding the Reactivity of Ion-Encapsulated Fullerenes Garcia-Rodeja, Yago; Sola, Miquel; Bickelhaupt, F. Matthias; Fernandez, Israel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201701506 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Review The key role of aromaticity in the structure and reactivity of C-60 and endohedral metallofullerenes Garcia-Borras, Marc; Luis, Josep M.; Sola, Miquel; Osuna, Silvia INORGANICA CHIMICA ACTA 0020-1693 (2017) DOI / 10.1016/j.ica.2017.07.044 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article On the regioselectivity of the Diels-Alder cycloaddition to C-60 in high spin states El Bakouri, Ouissam; Garcia-Borras, Marc; Giron, Rosa M.; Filippone, Salvatore; Martin, Nazario; Sola, Miquel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c7cp07965f Green published, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Covalent Functionalization of Single-Walled Carbon Nanotubes by the Bingel Reaction for Building Charge-Transfer Complexes Stasyuk, Olga A.; Stasyuk, Anton J.; Voityuk, Alexander A.; Sola, Miguel JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2020) DOI / 10.1021/acs.joc.0c01384
Mentions   0   Wikipedia   0   News   0   Policy
Article Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight? Pino-Rios, Ricardo; Baez-Grez, Rodrigo; Sola, Miquel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2021) DOI / 10.1039/d1cp01441b
Mentions   0   Wikipedia   0   News   0   Policy
Article Triquinoline- versus Fullerene-Based Cycloparaphenylene Ionic Complexes: Comparison of Photoinduced Charge-Shift Reactions Stasyuk, Anton J.; Stasyuk, Olga A.; Sola, Miquel; Voityuk, Alexander A. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2020) DOI / 10.1002/chem.202002179 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Open-Circuit Voltage of Organic Photovoltaics: A Time-Dependent and Unrestricted DFT Study in a P3HT/PCBM Complex Pablo Martinez, J.; Sola, Miquel JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2020) DOI / 10.1021/acs.jpca.9b10097 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article The Coulomb Hole of the Ne Atom Rodriguez-Mayorga, Mauricio; Ramos-Cordoba, Eloy; Lopez, Xabier; Sola, Miquel; Ugalde, Jesus M.; Matito, Eduard CHEMISTRYOPEN 2191-1363 (2019) DOI / 10.1002/open.201800235 Green published, Green submitted, Gold
Mentions   0   Wikipedia   0   News   0   Policy
Article Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures Garcia-Borras, M.; Osuna, S.; Luis, J. M.; Sola, M. CHEMICAL COMMUNICATIONS 1359-7345 (2017) DOI / 10.1039/c7cc01750b Green published, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Effect of incarcerated HF on the exohedral chemical reactivity of HF@C-60 Vidal, Sara; Izquierdo, Marta; Alom, Shamim; Garcia-Borras, Marc; Filippone, Salvatore; Osuna, Silvia; Sola, Miquel; Whitby, Richard J.; Martin, Nazario CHEMICAL COMMUNICATIONS 1359-7345 (2017) DOI / 10.1039/c7cc05987f Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Exploiting the Aromatic Chameleon Character of Fulvenes for Computational Design of Baird-Aromatic Triplet Ground State Compounds Yadav, Sangeeta; El Bakouri, Ouissam; Jorner, Kjell; Tong, Hui; Dahlstrand, Christian; Sola, Miquel; Ottosson, Henrik CHEMISTRY-AN ASIAN JOURNAL 1861-4728 (2019) DOI / 10.1002/asia.201801821 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Probing the Origin of Adaptive Aromaticity in 16-Valence-Electron Metallapentalenes Chen, Dandan; Szczepanik, Dariusz W.; Zhu, Jun; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2020) DOI / 10.1002/chem.202001830
Mentions   0   Wikipedia   0   News   0   Policy
Article Fluxional bis(phenoxy-imine) Zr and Ti catalysts for polymerization Escayola, Silvia; Brotons-Rufes, Artur; Bahri-Laleh, Naeimeh; Ragone, Francesco; Cavallo, Luigi; Sola, Miquel; Poater, Albert THEORETICAL CHEMISTRY ACCOUNTS (2021) DOI / 10.1007/s00214-021-02747-8
Mentions   0   Wikipedia   0   News   0   Policy
Article Photoinduced electron transfer in nanotube superset of C-70 inclusion complexes: phenine vs. nanographene nanotubes Stasyuk, Anton J.; Stasyuk, Olga A.; Sola, Miquel; Voityuk, Alexander A. CHEMICAL COMMUNICATIONS 1359-7345 (2020) DOI / 10.1039/d0cc04261g
Mentions   0   Wikipedia   0   News   0   Policy
Article The Relative Stability of Indole Isomers Is a Consequence of the Glidewell-Lloyd Rule Pino-Rios, Ricardo; Sola, Miquel JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2021) DOI / 10.1021/acs.jpca.0c09549
Mentions   0   Wikipedia   0   News   0   Policy
Article Electron Transfer in a Li+-Doped Zn-Porphyrin-[10]CPP superset of Fullerene Junction and Charge-Separated Bands with Opposite Response to Polar Environments Stasyuk, A. J.; Stasyuk, O. A.; Sola, M.; Voityuk, A. A. JOURNAL OF PHYSICAL CHEMISTRY B 1520-6106 (2020) DOI / 10.1021/acs.jpcb.0c05204 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Chelation enforcing a dual gold configuration in the catalytic hydroxyphenoxylation of alkynes Escayola, Silvia; Poater, Jordi; Ramos, Miguel; Luque-Urrutia, Jesus Antonio; Duran, Josep; Simon, Silvia; Sola, Miquel; Cavallo, Luigi; Nolan, Steven P.; Poater, Albert APPLIED ORGANOMETALLIC CHEMISTRY 0268-2605 (2021) DOI / 10.1002/aoc.6362 Hybrid, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Effect of Diamine Bridge on Reactivity of Tetradentate ONNO Nickel(II) Complexes Pruszkowska, Kamila; Stasyuk, Olga A.; Zep, Anna; Krowczynski, Adam; Sicinski, Rafal R.; Sola, Miquel; Cyranski, Michal K. CHEMPHYSCHEM 1439-4235 (2021) DOI / 10.1002/cphc.202100741
Mentions   0   Wikipedia   0   News   0   Policy
Article Photoinduced electron transfer and unusual environmental effects in fullerene-Zn-porphyrin-BODIPY triads Stasyuk, A. J.; Stasyuk, O. A.; Sola, M.; Voityuk, A. A. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c9cp04104d Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Is Coronene Better Described by Clar's Aromatic pi-Sextet Model or by the AdNDP Representation? Kumar, Anand; Duran, Miquel; Sola, Miquel JOURNAL OF COMPUTATIONAL CHEMISTRY 0192-8651 (2017) DOI / 10.1002/jcc.24801 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Aromaticity of acenes: the model of migrating -circuits Szczepanik, Dariusz W.; Sola, Miquel; Krygowski, Tadeusz M.; Szatylowicz, Halina; Andrzejak, Marcin; Pawelek, Barbara; Dominikowska, Justyna; Kukulka, Mercedes; Dyduch, Karol PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp01108g Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Rationalizing the Regioselectivity of the Diels-Alder Biscycloaddition of Fullerenes Garcia-Rodeja, Yago; Sola, Miquel; Fernandez, Israel JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2018) DOI / 10.1021/acs.joc.8b00218 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article The electronic structure and stability of germanium tubes Ge30H12 and Ge33H12 Long Van Duong; Matito, Eduard; Sola, Miquel; Behzadi, Hadi; Momeni, Mohammad Jafar; Minh Tho Nguyen PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp03737j Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene-Ene-Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism Cassu, Daniel; Parella, Teodor; Sola, Miquel; Pla-Quintana, Anna; Roglans, Anna CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201703194 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Effect of Exocyclic Substituents and pi-System Length on the Electronic Structure of Chichibabin Diradical(oid)s Escayola, Silvia; Callis, Marc; Poater, Albert; Sola, Miquel ACS OMEGA 2470-1343 (2019) DOI / 10.1021/acsomega.9b00916 Gold, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Does the endohedral borospherene supersalt FLi2@B-39 maintain the "super'' properties of its subunits? Stasyuk, A. J.; Sola, M. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c7cp02550e Green submitted, Green published, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C-60 Catalyzed by Wilkinson's Catalyst Artigas, Albert; Lledo, Agusti; Pla-Quintana, Anna; Roglans, Anna; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201702494 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids Stasyuk, Anton J.; Stasyuk, Olga A.; Filippone, Salvatore; Martin, Nazario; Sola, Miquel; Voityuk, Alexander A. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201802381 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article The influence of the pH on the reaction mechanism of water oxidation by a Ru(bda) catalyst Luque-Urrutia, Jesus A.; Sola, Miquel; Poater, Albert CATALYSIS TODAY 0920-5861 (2020) DOI / 10.1016/j.cattod.2019.12.005
Mentions   0   Wikipedia   0   News   0   Policy
Article Understanding the performance of a bisphosphonate Ru water oxidation catalyst Luque-Urrutia, Jesus A.; Kamdar, Jayneil M.; Grotjahn, Douglas B.; Sola, Miquel; Poater, Albert DALTON TRANSACTIONS 1477-9226 (2020) DOI / 10.1039/d0dt02253e Green submitted, Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Substituted adenine quartets: interplay between substituent effect, hydrogen bonding, and aromaticity Szatylowicz, Halina; Marek, Paulina H.; Stasyuk, Olga A.; Krygowski, Tadeusz M.; Sola, Miquel RSC ADVANCES (2020) DOI / 10.1039/d0ra04585c Gold, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Reliable charge assessment on encapsulated fragment for endohedral systems Stasyuk, A. J.; Sola, M.; Voityuk, A. A. SCIENTIFIC REPORTS 2045-2322 (2018) DOI / 10.1038/s41598-018-21240-0 Gold, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C-60 and cyclopentadiene Villegas-Escobar, Nery; Poater, Albert; Sola, Miquel; Schaefer, Henry F., III; Toro-Labbe, Alejandro PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c8cp07626j Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Mechanism of the Manganese-Pincer-Catalyzed Acceptorless Dehydrogenative Coupling of Nitriles and Alcohols Luque-Urrutia, Jesus A.; Sola, Miguel; Milstein, David; Poater, Albert JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2019) DOI / 10.1021/jacs.8b11308 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Reactivity Patterns of (Protonated) CompoundII and CompoundI of Cytochrome P450: Which is the Better Oxidant? Li, Xiao-Xi; Postils, Veronica; Sun, Wei; Faponle, Abayomi S.; Sola, Miquel; Wang, Yong; Nam, Wonwoo; de Visser, Sam P. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201700363 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Aromaticity Determines the Relative Stability of Kinked vs. Straight Topologies in Polycyclic Aromatic Hydrocarbons Poater, Jordi; Duran, Miquel; Sola, Miquel FRONTIERS IN CHEMISTRY 2296-2646 (2018) DOI / 10.3389/fchem.2018.00561 Gold DOAJ, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues Vasquez-Espinal, Alejandro; Poater, Jordi; Sola, Miquel; Tiznado, William; Islas, Rafael NEW JOURNAL OF CHEMISTRY 1144-0546 (2017) DOI / 10.1039/c6nj02972h Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes Postils, Veronica; Saint-Andre, Maud; Timmins, Amy; Li, Xiao-Xi; Wang, Yong; Luis, Josep M.; Sola, Miquel; de Visser, Sam P. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 1661-6596 (2018) DOI / 10.3390/ijms19071974 Green published, Green submitted, Gold
Mentions   0   Wikipedia   0   News   0   Policy
Article Hypsochromic solvent shift of the charge separation band in ionic donor-acceptor Li+@C-60 subset of[10]CPP Stasyuk, Anton J.; Stasyuk, Olga A.; Sola, Miquel; Voityuk, Alexander A. CHEMICAL COMMUNICATIONS 1359-7345 (2019) DOI / 10.1039/c9cc05787k
Mentions   0   Wikipedia   0   News   0   Policy
Editorial Material Special Collection: Computational Chemistry Sola, Miquel; De Proft, Frank; Bickelhaupt, F. Matthias CHEMISTRYOPEN 2191-1363 (2019) DOI / 10.1002/open.201900197 Gold DOAJ, Green published
Mentions   0   Wikipedia   0   News   0   Policy
Article Predicting and Understanding the Reactivity of Aza[60]fullerenes Garcia-Rodeja, Yago; Sola, Miquel; Fernandez, Israel JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2017) DOI / 10.1021/acs.joc.6b02424 Green accepted, Hybrid
Mentions   0   Wikipedia   0   News   0   Policy
Article Peculiar Photoinduced Electron Transfer in Porphyrin-Fullerene Akamptisomers Stasyuk, Antony J.; Stasyuk, Olga A.; Sola, Miquel; Voityuk, Alexander A. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201804999 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Mechanism of the Suzuki-Miyaura Cross-Coupling Reaction Mediated by [Pd(NHC)(allyl)Cl] Precatalysts Magi Meconi, Giulia; Vummaleti, Sai Vikrama Chaitanya; Antonio Luque-Urrutia, Jesus; Belanzoni, Paola; Nolan, Steven P.; Jacobsen, Heiko; Cavallo, Luigi; Sola, Miguel; Poater, Albert ORGANOMETALLICS 0276-7333 (2017) DOI / 10.1021/acs.organomet.7b00114 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article The Role of the Long-Range Exchange Corrections in the Description of Electron Delocalization in Aromatic Species Szczepanik, Dariusz W.; Sola, Miquel; Andrzejak, Marcin; Pawelek, Barbara; Dominikowska, Justyna; Kukulka, Mercedes; Dyduch, Karol; Krygowski, Tadeusz M.; Szatylowicz, Halina JOURNAL OF COMPUTATIONAL CHEMISTRY 0192-8651 (2017) DOI / 10.1002/jcc.24805 Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Influence of the charge on the reactivity of azafullerenes Garcia-Rodeja, Yago; Sola, Miquel; Fernandez, Israel PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2018) DOI / 10.1039/c8cp06031b Green submitted, Green accepted
Mentions   0   Wikipedia   0   News   0   Policy
Article Photoinduced Charge Shift in Li+-Doped Giant Nested Fullerenes Stasyuk, Anton J.; Stasyuk, Olga A.; Sola, Miguel; Voityuk, Alexander A. JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2019) DOI / 10.1021/acs.jpcc.9b02354 Green accepted

Más rankings

InfluScience

Contacto
Cerrar