Results: 481
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander A. Voityuk
Triquinoline vs Fullerene based cycloparaphenylene ionic complexes. Comparison of photoinduced charge‐shift reactions.
Chem. Eur. J., 2020, 26, 10896-10902
DOI: 10.1002/chem.202002179Keywords: Electron and energy transfer, Fullerenes, Photovoltaic materials, Supramolecular chemistry
Dandan Chen, DariuszW. Szczepanik, Jun Zhu, Miquel Solà
Probing the Origin of Adaptive Aromaticity in 16‐Valence‐Electron Metallapentalenes
Chem. Eur. J., 2020, 26, 12902-12902
DOI: 10.1002/chem.202002918
Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Miquel Solà
Probing the origin of adaptive aromaticity in 16‐valence‐electron metallapentalenes
Chem. Eur. J., 2020, 26, 12964-12971
DOI: 10.1002/chem.202001830Keywords: Aromaticity, Chemical bonding, Computational chemistry, Electron delocalization, Excited states
Pau Besalú-Sala, Josep M. Luis, Miquel Solà
Bingel‐Hirsch Addition of Diethyl Bromomalonate to Ion‐Encapsulated Fullerene M@C60 (M = Ø, Li+, Na+, K+, Mg+2, Ca+2, and Cl‐)
Chem. Eur. J., 2020, 26, 14481-14487
DOI: 10.1002/chem.202003208Keywords: Computational chemistry, Cycloaddition, Endohedral fullerenes, Fullerenes, Reaction mechanisms
Miquel Solà, JesúsAntonio Luque-Urrutia, Albert Poater
Do carbon nano‐onions behave as nanoscopic Faraday cages? A comparison of the reactivity of C60, C240, C60@C240, Li+@C60, Li+@C240, and Li+@C60@C240
Chem. Eur. J., 2020, 26, 804-808
DOI: 10.1002/chem.201904650Keywords: Catalysis, Confined space, Fullerenes, Nanocages, Reaction mechanisms
Olga A. Stasyuk, Miquel Solà, Marcel Swart, Célia Fonseca Guerra, Tadeusz Marek Krygowski, Halina Szatylowicz
Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs
ChemPhysChem, 2020, 21, 2112-2126
DOI: 10.1002/cphc.202000434Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, Supramolecular chemistry
Jesús A. Luque-Urrutia, Jayneil M. Kamdar, Douglas B. Grotjahn, Miquel Solà, Albert Poater
Understanding the performance of a bisphosphonate Ru water oxidation catalyst
Dalton Trans., 2020, 49, 14052-14060
DOI: 10.1039/d0dt02253eKeywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Sustainable Catalysis
Sílvia Escayola, Miquel Solà, Albert Poater
Mechanism of the Facile Nitrous Oxide Fixation by Homogeneous Ruthenium Hydride Pincer Catalysts
Inorg. Chem., 2020, 59, 9374-9383
DOI: 10.1021/acs.inorgchem.0c01252Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Sustainable Catalysis
Jordi Poater, Clara Viñas, Ines Bennour, Sílvia Escayola, Miquel Solà, Francesc Teixidor
Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes
J. Am. Chem. Soc., 2020, 142, 9396-9407
DOI: 10.1021/jacs.0c02228Keywords: Aromaticity, Chemical bonding, Electron delocalization, Organometallics, Nanocages
Olga A. Stasyuk, Anton J. Stasyuk, Alexander A. Voityuk, Miquel Solà
Covalent functionalization of single-walled carbon nanotubes by Bingel reaction for building charge-transfer complexes
J. Org. Chem., 2020, 85, 11721–11731
DOI: 10.1021/acs.joc.0c01384Keywords: Computational chemistry, Cycloaddition, Excited states, Photovoltaic materials, Photochemistry