• Authors: R. Grande-Aztatzi, E. Formoso, J. I. Mujika, D. de Sancho, X. Lopez
    Title: Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation
    Journal: Journal of Inorganic Biochemistry
    Volume: 210
    Pages: 111169
    Year: 2020
    DOI: 10.1016/j.jinorgbio.2020.111169
  • Authors: M. Aarabi, S. Gholami, S.J. Grabowski
    Title: S-H…O and O-H…O Hydrogen Bonds-Comparison of Dimers of Thiocarboxylic and Carboxylic Acids
    Journal: ChemPhysChem (the cover feature, Special Collection)
    Volume: 21
    Pages: 1653-1664
    Year: 2020
    DOI: 10.1002/cphc.202000131
  • Author: S.J. Grabowski
    Title: Molecular Hydrogen as a Lewis Base in Hydrogen Bonds and Other Interactions
    Journal: Molecules (special issue)
    Volume: 25
    Pages: 3294
    Year: 2020
    DOI: 10.3390/molecules25143294
  • Authors: M. Zubiria-Ulacia, J. M. Matxain, D. Casanova
    Title: The role of CT excitations in PDI aggregates
    Journal: Physical Chemistry Chemical Physics
    Volume: 22
    Pages: 15908-15918
    Year: 2020
    DOI: 10.1039/D0CP02344B
  • Authors: I. Mitxelena, M. Piris
    Title: Analytic gradients for spin multiplets in natural orbital functional theory
    Journal: J. Chem. Phys.
    Volume: 153
    Pages: 044101
    Year: 2020
    DOI: 10.1063/5.0012897
  • Authors: I. Rivilla, B. Aparicio, J. M. Bueno, D. Casanova, C. Tonnelé, Z. Freixa, P. Herrero, C. Rogero, J. I. Miranda, R. M. Martínez-Ojeda, F. Monrabal, B. Olave, T. Shäfer, P. Artal, D. Nygren, F. P. Cossío, J. J. Gómez-Cadenas
    Title: Fluorescent bicolour sensor for low-background neutrinoless double β decay experiments
    Journal: Nature
    Volume: 583
    Pages: 48-54
    Year: 2020
    DOI: 10.1038/s41586-020-2431-5
  • Authors: Wang Z.-C., Tkachenko N.V., Qiao L.,Matito E., Muñoz-Castro A., Boldyrev A.I., Sun Z.-M.
    Title: All-Metal sigma-Antiaromaticity in Dimeric Cluster Anion {[CuGe9Mes]2}4-.
    Journal: Chem. Comm.
    Volume: 56
    Pages: 6583
    Year: 2020
    DOI: 10.1039/d0cc02525a
  • Author: S.J. Grabowski
    Title: The Nature of Triel Bonds, a Case of B and Al Centres
    Bonded with Electron Rich Sites
    Journal: Molecules (special issue)
    Volume: 25
    Pages: 2703
    Year: 2020
    DOI: 10.3390/molecules25112703
  • Author: S.J. Grabowski
    Title: Hydrogen Bonds with BF4- Anion as a Proton Acceptor
    Journal: Crystals (special issue)
    Volume: 10
    Pages: 460
    Year: 2020
    DOI: 10.3390/cryst10060460
  • Authors: J. He, D. Casanova, W-H. Fang, R. Long, O. V. Prezhdo
    Title: MAI Termination Favors Efficient Hole Extraction and Slow Charge Recombination
    at the MAPbI3/CuSCN Heterojunction
    Journal: J. Phys. Chem. Lett.
    Volume: 11
    Pages: 4481-4489
    Year: 2020
    DOI: 10.1021/acs.jpclett.0c01467
  • Authors: David J. Reilley, Jack T. Fuller III, Michael R. Nechay, Marie Victor, Wei Li, Josiah D. Ruberry, Jon I. Mujika, Xabier Lopez, and Anastassia N. Alexandrova
    Title: Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin
    Journal: Biophysical Journal
    Volume: 118
    Pages: 1-10
    Year: 2020
    DOI: 10.1016/j.bpj.2020.05.006
  • Authors: G. Salvitti, F. Negri, A. J. J. Pérez-Jiménez, E. San-Fabián, D. Casanova, J. C. Sancho-García
    Title: Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods
    Journal: J. Phys. Chem. A
    Volume: 124
    Pages: 3590-3600
    Year: 2020
    DOI: 10.1021/acs.jpca.0c01239
  • Authors: Virginia San Nacianceno, María A. Garralda, Jon M. Matxain, Zoraida Freixa
    Title: Proton-responsive Ruthenium(II) Catalysts for the Solvolysis of Ammonia-Borane (Cover)
    Journal: Organometallics
    Volume: 39
    Pages: 1238-1248
    Year: 2020
    DOI: 10.1021/acs.organomet.0c00032
  • Authors: M. Catherin, O. Uranga-Barandiaran, A. Brosseau, R. Métivier, D. Canard, A. D’Aléo, D. Casanova, F. Castet, F. Fages
    Title: Exciton interactions, excimer formation, and [2pi+2pi] photodimerization in nonconjugated curcuminoid-BF2 dimers
    Journal: Chem. Eur. J.
    Volume: 26
    Pages: 3818-3828
    Year: 2020
    DOI: 10.1002/chem.201905122
  • Authors: Joanna Izabela Lachowicz, Gabriele Dalla Torre, Rosita Cappai, Enrico Randaccio, Valeria M. Nurchi, Remigiusz Bachor, Zbigniew Szewczuk, Lukasz Jaremko, Mariusz Jaremko, Maria Barbara Pisano, Sofia Cosentino, Germano Orrù, Antonella Ibba, Joni Mujika and Xabier Lopez
    Title: Metal self-assembly mimosine peptides with enhanced antimicrobial activity: towards a new generation of multitasking chelating agents
    Journal: Dalton Transactions
    Volume: 49
    Pages: 2862-2879
    Year: 2020
    DOI: 10.1039/C9DT04545G
  • Authors: D. Casanova, A. Krylov
    Title: Spin-Flip Methods in Quantum Chemistry
    Journal: Physical Chemistry Chemical Physics
    Volume: 22
    Pages: 4326 – 4342
    Year: 2020
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  • Authors: S.J. Grabowski
    Title: Interactions Steering Arrangement of Molecules in Crystals
    Journal: Crystals
    Volume: 10
    Pages: 130
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  • Authors: Ion Mitxelena, Mario Piris
    Title: An efficient method for strongly correlated electrons in two-dimensions
    Journal: J. Chem. Phys.
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    Year: 2020
    DOI: 10.1063/1.5140985
  • Authors: I. Casademont-Reig, E. Ramos-Cordoba, Torrent-Sucarrat M., E. Matito
    Title: How Do the Hückel and the Baird Rules Fade Away in Annulenes?
    Journal: Molecules
    Volume: 25
    Pages: 711
    Year: 2020
    DOI: 10.3390/molecules25030711
  • Authors: Ion Mitxelena, Mario Piris
    Title: An efficient method for strongly correlated electrons in one dimension
    Journal: J. Phys.: Condens. Matter
    Volume: 32
    Pages: 17LT01
    Year: 2020
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  • Authors: Aitzol García-Etxarri, Jesus M. Ugalde, Juan Jose Sáenz, Vladimiro Mujica
    Title: Field-Mediated Chirality Information Transfer in Molecule–Nanoparticle Hybrids
    Journal: J. Phys. Chem. C
    Volume: 124
    Pages: 1560-1565
    Year: 2020
    DOI: 10.1021/acs.jpcc.9b07670
  • Authors: S.J. Grabowski
    Title: Triel bond and coordination of triel centres – Comparison with hydrogen bond interaction
    Journal: Coordination Chemistry Reviews
    Volume: 407
    Pages: 213171 (21 pages)
    Year: 2020
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  • Authors: J. Gurruchaga-Pereda, V. Martínez-Martínez, E. Rezabal, X. Lopez, C. Garino, F. Mancin, A. L. Cortajarena, L. Salassa
    Title: Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates.
    Journal: ACS Catalysis
    Volume: 10
    Pages: 187-196
    Year: 2020
    DOI: 10.1021/acscatal.9b02863