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Deshuang Tu, Jiaxin Li, Fangxiang Sun, Hong Yan, Jordi Poater, Miquel Solà
Cage– ···Cage– Interaction: Boron Cluster-Based Noncovalent Bond and Its Applications in Solid-State Materials
JACS Au, 2021, 11, 2047-2057
DOI: 10.1021/jacsau.1c00348
Keywords: Aromaticity, Chemical bonding, Nanocages, Supramolecular chemistry

Ricardo Pino-Rios, Rodrigo Báez-Grez, Miquel Solà
Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?
Phys. Chem. Chem. Phys., 2021, 23, 13574-13582
DOI: 10.1039/D1CP01441B
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Excited states

Miquel Solà, Miquel Duran, Jordi Poater
The energy components of the extended transition state energy decomposition analysis are path functions: the case of water tetramer
Theor Chem Acc, 2021, 140, 33
DOI: 10.1007/s00214-021-02730-3
Keywords: Chemical bonding, Density Functional Theory, Method development

Hong Yan, Deshuang Tu, Jordi Poater, Miquel Solà
The nido-Cage···π Bond: A Non-covalent Interaction between Boron Clusters and Aromatic Rings and Its Applicationst
Angew. Chem. Int. Ed., 2020, 59, 9018-9025
DOI: 10.1002/anie.201915290
Keywords: Aromaticity, Chemical bonding, Density Functional Theory

Dandan Chen, Dariusz Szczepanik, Jun Zhu, Miquel Solà
All-metal Baird aromaticity
Chem. Commun., 2020, 56, 12522-12525
DOI: 10.1039/D0CC05586G
Keywords: Aromaticity, Chemical bonding, Excited states, Organometallics

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.202001830
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Electron delocalization, Excited states

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.202000434
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, Supramolecular chemistry

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.0c02228
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Organometallics, Nanocages

Rafael Islas, Diego Inostroza, David Arias-Olivares, Bernardo Zúñiga-Gutiérrez, Jordi Poater, Miquel Solà
Analysis of the electronic delocalization in some isoelectronic analogues of B12 doped with beryllium and/or carbon
Phys. Chem. Chem. Phys., 2020, 22, 12245-12259
DOI: 10.1039/D0CP01844A
Keywords: Aromaticity, Chemical bonding, Electron delocalization

Halina Szatylowicz, Paulina H. Marek, Olga A. Stasyuk, Tadeusz M. Krygowski, Miquel Solà
Substituted adenine quartets: interplay between substituent effect, hydrogen bonding, and aromaticity
RSC Adv., 2020, 10, 23350-23358
DOI: 10.1039/d0ra04585c
Keywords: Aromaticity, Chemical bonding, Supramolecular chemistry

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