• Authors: Asier Echarri, Dácil M. Pavón, Sara Sánchez, María García-García, Enrique Calvo, Carla Huerta-López, Diana Velázquez-Carreras, Christine Viaris de Lesegno, Nicholas Ariotti, Ana Lázaro-Carrillo, Raffaele Strippoli, David De Sancho, Jorge Alegre-Cebollada, Christophe Lamaze, Robert G. Parton & Miguel A. Del Pozo
    Title: An Abl-FBP17 mechanosensing system couples local plasma membrane curvature and stress fiber remodeling during mechanoadaptation
    Journal: Nature Communications
    Volume: 10
    Pages: 5828
    Year: 2019
    DOI: 10.1038/s41467-019-13782-2
  • Authors: S.J. Grabowski
    Title: Bifurcated Triel Bonds – Hydrides and Halides of 1,2-Bis(Dichloroboryl)Benzene and 1,8-Bis(Dichloroboryl)Naphthalene
    Journal: Crystals
    Volume: 9
    Pages: 503 (14 pages)
    Year: 2019
    DOI: 10.3390/cryst9100503
  • Authors: S.J. Grabowski
    Title: Pnicogen and tetrel bonds – tetrahedral Lewis acid centres
    Journal: Structural Chemistry
    Volume: 30
    Pages: 1141-1152
    Year: 2019
    DOI: 10.1007/s11224-019-01358-1
  • Authors: S.J. Grabowski
    Title: A-H…sigma Hydrogen Bonds: Dihydrogen and Cycloalkanes as Proton Acceptors
    Journal: ChemPhysChem
    Volume: 20
    Pages: 565-574
    Year: 2019
    DOI: 10.1002/cphc.201900045
  • Authors: A. S. Hacker, M. Pavano, J. E. Wood, H. Hashimoto, K. M. D’Ambrosio, C. K. Frederickson, J. L. Zafra, C. J. Gómez-García, V. Postils, A. Ringer, D. Casanova, D. K. Frantz, J. Casado
    Title: Fluoreno[2,1-a]fluorene: an ortho-naphthoquinodimethane-based system with partial diradical character
    Journal: Chemical Communications
    Volume: 55
    Pages: 14186-14189
    Year: 2019
    DOI: 10.1039/C9CC07474K
  • Authors: I. Mitxelena, M. Piris, J. M. Ugalde
    Title: Advances in approximate natural orbital functional theory
    Journal: Advances in Quantum Chemistry
    Volume: 79
    Pages: 155-177
    Year: 2019
    DOI: 10.1016/bs.aiq.2019.04.001
  • Authors: J. Kim, J. Oh, S. Park, J. L. Zafra, J. R. DeFrancisco, D. Casanova, M. Lim,J. D. Tovar, J. Casado, D. Kim
    Title: Two-electron transfer stabilized by excited-state aromatization
    Journal: Nature Communications
    Volume: 10
    Pages: 4983
    Year: 2019
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  • Authors: Dzmitry Melnikau, Alexander A. Govyadinov, Ana Sánchez-Iglesias, Marek Grzelczak, Igor R. Nabiev, Luis M. Liz-Marzán, Yury P. Rakovich
    Title: Double Rabi Splitting in a Strongly Coupled System of Core–Shell Au@Ag Nanorods and J-Aggregates of Multiple Fluorophores
    Journal: The Journal of Physical Chemistry Letters
    Volume: 10
    Pages: 6137-6143
    Year: 2019
    DOI: 10.1021/acs.jpclett.9b01988
  • Authors: Daniel García-Lojo, Sara Núñez-Sánchez, Sergio Gómez-Graña, Marek Grzelczak, Isabel Pastoriza-Santos, Jorge Pérez-Juste, Luis M. Liz-Marzán
    Title: Plasmonic Supercrystals
    Journal: Accounts of Chemical Research
    Volume: 52
    Pages: 1855-1864
    Year: 2019
    DOI: 10.1021/acs.accounts.9b00213
  • Authors: Stefan Merkens, Mohammad Vakili, Ana Sánchez-Iglesias, Lucio Litti, Yunyun Gao, Paul V. Gwozdz, Lewis Sharpnack, Robert H. Blick, Luis M. Liz-Marzán, Marek Grzelczak, Martin Trebbin
    Title: Time-Resolved Analysis of the Structural Dynamics of Assembling Gold Nanoparticles
    Journal: ACS Nano
    Volume: 13
    Pages: 6596-6604
    Year: 2019
    DOI: 10.1021/acsnano.9b00575
  • Authors: Karolina Kinastowska, Jie Liu, John M.Tobin, Yury Rakovich, Filipe Vilela, Zhengtao Xu, Wojciech Bartkowiak, Marek Grzelczak
    Title: Photocatalytic cofactor regeneration involving triethanolamine revisited: The critical role of glycolaldehyde
    Journal: Applied Catalysis B: Environmental
    Volume: 243
    Pages: 686-692
    Year: 2019
    DOI: 10.1016/j.apcatb.2018.10.077
  • Authors: Marek Grzelczak
    Title: Colloidal systems chemistry. Replication, reproduction and selection at nanoscale
    Journal: Journal of Colloid and Interface Science
    Volume: 537
    Pages: 269-279
    Year: 2019
    DOI: 10.1016/j.jcis.2018.11.012
  • Authors: Victor Krivenkov, Simon Goncharov, Pavel Samokhvalov, Ana Sánchez-Iglesias, Marek Grzelczak, Igor Nabiev, Yury Rakovich
    Title: Enhancement of Biexciton Emission Due to Long-Range Interaction of Single Quantum Dots and Gold Nanorods in a Thin-Film Hybrid Nanostructure
    Journal: J. Phys. Chem. Lett.
    Volume: 10
    Pages: 3481-486
    Year: 2019
    DOI: 10.1021/acs.jpclett.8b03549
  • Authors: Marek Grzelczak, Luis M. Liz-Marzán, Rafal Klajn
    Title: Stimuli-responsive self-assembly of nanoparticles
    Journal: Chem. Soc. Rev.
    Volume: 48
    Pages: 1342-1361
    Year: 2019
    DOI: 10.1039/C8CS00787J
    • Authors: Evyenia Shaili, Luca Salassa, Julie A. Woods, Guy Clarkson, Peter J. Sadler, Nicola J. Farrer
      Title: Platinum(IV) dihydroxido diazidoN-(heterocyclic)imine complexes are potently photocytotoxicwhen irradiated with visible light
      Journal: Chemical Science
      Volume: 10
      Pages: 8610-8617
      Year: 2019
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    • Authors: A. I. Benitez-Mateos, E. Mehravar, S. Velasco-Lozano, R. Tomovska, L. Salassa, F. López-Gallego
      Title: Selective Immobilization of Fluorescent Proteins for the Fabrication of Photoactive Materials
      Journal: Molecules
      Volume: 24
      Pages: 2775.
      Year: 2019
      DOI: 10.3390/molecules24152775
    • Authors: Laura A. Hager, Stephan Mokesch, Claudia Kieler, Silvia Alonso-de Castro, Dina Baier, Alexander Roller, Wolfgang Kandioller, Bernhard K. Keppler, Walter Berger, Luca Salassa, Alessio Terenzi
      Title: Ruthenium–arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition
      Journal: Dalton Transactions
      Volume: 48
      Pages: 12040-12049
      Year: 2019
      DOI: 10.1039/C9DT02078K
    • Authors: Juan Gurruchaga-Pereda, Álvaro Martínez, Alessio Terenzi, Luca Salassa
      Title: Anticancer platinum agents and light
      Journal: Inorganica Chimica Acta
      Volume: 495
      Pages: 118981
      Year: 2019
      DOI: 10.1016/j.ica.2019.118981
    • Authors: S. Alonso-de Castro, E. Ruggiero, A. Lekuona Fernández, U. Cossío, Z. Baz, D. Otaegui, V. Gómez-Vallejo, D. Padró, J. Llop, L. Salassa
      Title: Functionalizing NaGdF4:Yb,Er Upconverting Nanoparticles with Bone-Targeting Phosphonate Ligands: Imaging and In Vivo Biodistribution
      Journal: Inorganics
      Volume: 7
      Pages: 60
      Year: 2019
      DOI: 10.3390/inorganics7050060
    • Authors: Silvia Alonso‐de Castro, Alessio Terenzi, Juan Gurruchaga‐Pereda, Luca Salassa
      Title: Catalysis Concepts in Medicinal Inorganic Chemistry
      Journal: Chemistry: A European Journal
      Volume: 25
      Pages: 6651-6660
      Year: 2019
      DOI: 10.1002/chem.201806341
    • Authors: Z. Li, T. Y. Gopalakrishna, Y. Han, Y. Gu, L. Yuan, W. Zeng, D. Casanova, J. Wu
      Title: [6]Cyclo-para-phenylmethine: an analog of benzene showing global aromaticity and open-shell diradical character
      Journal: J. Am. Chem. Soc.
      Volume: 141
      Pages: 16266-16270
      Year: 2019
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    • Authors: June Izquierdo; Noémie Demurget; Aitor Landa; Tore Brinck; Jose M. Mercero ; Peter Dinér; Mikel Oiarbide;
      Claudio Palomo.
      Title: Asymmetric Synthesis of Adjacent Tri- and TetrasubstitutedCarbon Stereocenters.
      Organocatalytic Aldol Reaction of an Hydantoin Surrogate with Azaarene 2-Carbaldehydes.
      Journal: Chemistry-A European Journal
      Year: 2019
      Volume: 25
      Pages: 12431-12438
      DOI: 10.1002/chem.201902817
    • Authors: David de Sancho, Anne Aguirre
      Title: MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics
      Journal: J. Chem. Inf. Model.
      Year: 2019
      Volume: 59
      Pages: 3625-3629
      DOI: 10.1021/acs.jcim.9b00468
    • Authors: Ainara Erice, Itxaso Azcune, Alaitz Ruiz de Luzuriaga, Fernando Ruipérez, Mikel Irigoyen, Jon M. Matxain, Jose M. Asua, Hans J. Grande and Alaitz Rekondo
      Title: Effect of Regioisomerism on Processability and Mechanical Properties of Amine/Urea Exchange Based Poly(urea-urethane) Vitrimer
      Journal: ACS Applied Polymer Materials
      Volume: 1
      Pages: 2472-2481
      Year: 2019
      DOI: 10.1002/cphc.201900687
    • Authors: Slawomir J. Grabowski, David Casanova, Elena Formoso, Jesus M. Ugalde
      Title: Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis
      Journal: ChemPhysChem
      Volume: 20
      Pages: 2443-2450
      Year: 2019
      DOI: 10.1002/cphc.201900687
    • Authors: Farihah M. Haque, Ca’ra M. Schexnayder, Jon M. Matxain, Fabienne Barroso-Bujans,
      Scott M. Grayson
      Title: MALDI-ToF MS Study of Macrocyclic Polyethers Generated by Electrophilic Zwitterionic Ring Expansion Polymerization of Monosubstituted Epoxides with B(C6F5)3
      Journal: Macromolecules
      Volume: 52
      Pages: 6369-6381
      Year: 2019
      DOI: 10.1021/acs.macromol.9b01050
    • Authors: Jon M. Matxain, Jesus M. Ugalde, Vladimiro Mujica, Sarah I. Allec, Bryan M. Wong, David Casanova
      Title: Chirality induced spin selectivity of photoexcited electrons in carbon-sulfu [n]helicenes
      Journal: ChemPhotoChem
      Volume: 3
      Pages: 770-777
      Year: 2019
      DOI: 10.1002/cptc.201900128
    • Authors: Mario Piris
      Title: Natural Orbital Functional for Multiplets
      Journal: Phys. Rev. A
      Volume: 100
      Pages: 032508
      Year: 2019
      DOI: 10.1103/PhysRevA.100.032508
    • Authors: Andrés J., Ayers P.W., Boto R.A., Carbó-Dorca R., Chermette H., Cioslowski J., Contreras-García J., Cooper D.L., Frenking G., Gatti C., Heidar-Zadeh F., Joubert L., Martín Pendás A., Matito E., Mayer I., Misquitta A.J., Mo Y., Pilmé J., Popelier P.L.A., Rahm M., Ramos-Cordoba E., Salvador P., Schwarz W.H.E., Shahbazian S., Silvi B., Solà M., Szalewicz K., Weinhold F., Zins E.-L.
      Title: Nine Questions in Energy Decomposition Analysis.
      Journal: J. Comp. Chem.
      Volume: 40
      Pages: 2248-2283
      Year: 2019
      DOI: 10.1002/jcc.26003
    • Authors: C.D. Cruz, J. Yuan, C. Climent, N.T. Tierce, P.R. Christensen, E.L. Chronister, D. Casanova, M.O. Wolf, C.J. Bardeen
      Title: Using sulfur bridge oxidation to control electronic coupling and photochemistry in covalent anthracene dimers
      Journal: Chemical Science
      Volume: 10
      Pages: 7561-7573
      Year: 2019
      DOI: 10.1039/C8SC05598J
    • Authors: C. Zhang, S. Medina, W. Liu, D. Casanova, X. Zhu, J. Casado
      Title: Stable Cross-Conjugated Tetrathiophene Diradical
      Journal: Angewandte Chemie International Edition
      Volume: 58
      Pages: 11291-11295
      Year: 2019
      DOI: 10.1002/anie.201904153
    • Authors: Jose I. Santos, Iván Rivilla, Fernando P. Cossío, Jon M. Matxain, Marek Grzelczak, Shobeir K. S. Mazinani, Jesus M. Ugalde, Vladimiro Mujica
      Title: Reply to “Comment on ‘Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance’”
      Journal: ACS Nano
      Volume: 13
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      Year: 2019
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    • Authors: Nerea Barruetabeña, Borja Alonso-Lerma, Albert Galera-Prat, Nadeem Joudeh, Leire Barandiaran, Leire Aldazabal, Maria Arbulu, Miguel Alcalde, David De Sancho, Jose A. Gavira, Mariano Carrion-Vazquez, Raul Perez-Jimenez
      Title: Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
      Journal: Communications Chemistry
      Volume: 2
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      Year: 2019
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    • Authors: Abel Carreras, Sergio Conejeros, Agustín Camón, Alberto García, Nieves Casañ-Pastor, Pere Alemany, Enric Canadell
      Title: Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver–Copper Oxide AgCuO2
      Journal: Inorganic chemistry
      Volume: 58
      Pages: 7026-7035
      Year: 2019
      DOI: 10.1021/acs.inorgchem.9b00662
    • Authors: Abel Carreras, Luca Fuligni, Pere Alemany, Miquel Llunell, Josep Maria Bofill, Wolfgang Quapp
      Title: Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes
      Journal: Physical Chemistry Chemical Physics
      Volume: 21
      Pages: 11395–11404
      Year: 2019
      DOI: 10.1039/c8cp07164k
    • Authors: Sebastian P. Sitkiewicz, Mauricio Rodríguez-Mayorga, Josep M. Luis, Eduard Matito
      Title: Partition of Optical Properties into Orbital Contributions
      Journal: Phys. Chem. Chem. Phys.
      Volume: 21
      Pages: 15380-15391
      Year: 2019
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    • Authors: Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Eduard Matito
      Title: Singling Out Dynamic and Nondynamic Correlation
      Journal: J. Phys. Chem. Lett.
      Volume: 10
      Pages: 4032-4037
      Year: 2019
      DOI: 10.1021/acs.jpclett.9b01376
    • Authors: Robert Zaleśny, Miroslav Medved’, Sebastian P. Sitkiewicz, Eduard Matito, Josep M. Luis
      Title: Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes
      Journal: J. Chem. Theory Comput.
      Volume: 15
      Pages: 3570-3579
      Year: 2019
      DOI: 10.1021/acs.jctc.9b00139
    • Authors: Xabier Lopez, Mario Piris
      Title: Performance of the NOF-MP2 method in hydrogen abstraction reactions
      Journal: Theoretical Chemistry Accounts
      Volume: 138
      Pages: 89
      Year: 2019
      DOI: 10.1007/s00214-019-2475-5
    • Authors: Gabriele Dalla Torre, Jon I. Mujika, Joanna Izabela Lachowicz, Maria J. Ramos and Xabier Lopez
      Title: The interaction of aluminum with catecholamine based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases?
      Journal: Dalton Transactions
      Volume: 48
      Pages: 6003–6018
      Year: 2019
      DOI: 10.1039/c8dt04216k
    • Authors: M. E. Sandoval-Salinas, A. Carreras, J. Casado, D. Casanova
      Title: Singlet fission in spiroconjugated dimers
      Journal: The Journal of Chemical Physics
      Volume: 150
      Pages: 204306
      Year: 2019
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    • Authors: Leonardo Medrano Sandonas, Álvaro Rodríguez Méndez, Rafael Gutierrez, Jesus M. Ugalde, Vladimiro Mujica, Gianaurelio Cuniberti
      Title: Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths
      Journal: Journal of Physical Chemistry C
      Volume: 123
      Pages: 9680-9687
      Year: 2019
      DOI: 10.1021/acs.jpcc.8b11879
    • Authors: M. E. Sandoval-Salinas, A. Carreras, D. Casanova
      Title: Triangular graphene nanofragments: open-shell character and doping
      Journal: Physical Chemistry Chemical Physics
      Volum: 21
      Pages: 9069-9076
      Year: 2019
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    • Authors: Elisa Jimenez-Izal, Ji-Yuan Liu, Anastassia N. Alexandrova
      Title: Germanium as key dopant to boost the catalytic performance of platinum for alkane dehydrogenation
      Journal: J. Catal.
      Volume: 374
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      Year: 2019
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    • Authors: D. Yuan, D. Huang, S. Medina, A. Carreras, C. Zhang, Y. Zou, X. Jiao, C. R. McNeill, X. Zhu, C. Di, D. Zhy, D. Casanova, J. Casado
      Title: Cholesteric Aggregation at the Quinoidal-to-Diradical Border Enabled Stable n-Doped Conductor
      Journal: Chem
      Volum: 5
      Pages: 964-976
      Year: 2019
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    • Authors: D. López-Carballeira, M. Zubiria, D. Casanova, F. Ruipérez
      Title: Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character
      Journal: Physical Chemistry Chemical Physics
      Volum: 21
      Pages: 7941-7952
      Year: 2019
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    • Authors: A. Carreras, O. Uranga-Barandiaran, F. Castet, D. Casanova
      Title: Photophysics of Molecular Aggregates from Excited State Diabatization
      Journal: Journal of Chemical Theory and Computation
      Volum: 15
      Pages: 2320-2330
      Year: 2019
      DOI: 10.1021/acs.jctc.9b00019
    • Authors: Mikel Irigoyen, Andrea Fernández, Amaia Ruiz, Fernando Ruipérez, Jon M. Matxain
      Title: Diselenide Bonds as an Alternative to Outperform the Efficiency of Disulfides in Self-Healing Materials
      Journal: J. Org. Chem.
      Volume: 84
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      Year: 2019
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    • Authors: Christopher Exley, Gea Guerriero, Xabier Lopez
      Title: Silicic Acid: The onmiscient molecule.
      Journal: The Science of the Total Environment
      Volume: 665
      Pages: 432-437
      Year: 2019
      DOI: 10.1016/j.scitotenv.2019.02.197
    • Authors: Mauricio Rodríguez‐Mayorga, Eloy Ramos‐Cordoba , Xabier Lopez, Miquel Solà , Jesus M. Ugalde, Eduard Matito
      Title: The Coulomb Hole of the Ne Atom
      Journal: ChemistryOpen
      Volume: 8
      Pages: 411-417
      Year: 2019
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    • Authors: J. I. Mujika, G. Dalla Torre, J. I. Lachowicz, Xabier Lopez
      Title: In Silico Design of Mimosine Containing Peptides as New Efficient Chelators of Aluminum
      Journal: RSC Advances
      Volume: 9
      Pages: 7688-7697
      Year: 2019
      DOI: 10.1039/c8ra10139f
    • Authors: R. Quintero-Monsebaiz, I. Mitxelena, M. Rodríguez-Mayorga, A. Vela, M. Piris
      Title: Natural orbital functional for spin-polarized periodic systems
      Journal: J. Phys.: Condens. Matter
      Volume: 31
      Pages: 165501-8
      Year: 2019
      DOI: 10.1088/1361-648X/ab0170
    • Authors: M. M. Siddiqui, S. K. Sarkar, S. Sinhababu, P. N. Ruth, R. Herbst-Irmer, D. Stalke, M. Ghosh, M. Fu, L. Zhao, D. Casanova, G. Frenking, B. Schwederski, W. Kaim, and H. W. Roesky
      Title: Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbene
      Journal: Journal of the American Chemical Society
      Volume: 141
      Pages: 1908-1912
      Year: 2019
      DOI: 10.1021/jacs.8b13434
    • Authors: A. Pérez-Guardiola, R. Ortiz-Cano, M. E. Sandoval-Salinas, J. Fernández-Rossier, D. Casanova, A. J. Pérez-Jiménez and J. C. Sancho-García
      Title: From Cyclic Nanorings to Single-Walled Carbon Nanotubes: Disclosing the Evolution of their Electronic Structure with the Help of Theoretical Methods
      Journal: Physical Chemistry Chemical Physics
      Volume: 21
      Pages: 2547 – 2557
      Year: 2019
      DOI: 10.1039/C8CP06615A
    • Authors: June Aizpurua, Loli Martin, Elena Formoso, Alba González, Lourdes Irusta
      Title: One pot stimuli-responsive linear waterborne polyurethanes via Diels-Alder reaction.
      Journal: Progress in Organic Coatings
      Volume: 130
      Pages: 31-43
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    • Authors: Adam Mizera, Sławomir J. Grabowski, Paweł Ławniczak, Monika Wysocka-Żołopa, Alina T. Dubis, Andrzej Łapiński
      Title: A study of the optical, electrical and structural properties of poly(pyrrole-3,4-dicarboxylic acid)
      Journal: Polymer
      Volume: 164
      Pages: 142-153
      Year: 2019
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    • Authors: Y. Ni, M. E. Sandoval-Salinas, T. Tanaka, H. Phan, T. S. Herng, T. Y. Gopalakrishna, J. Ding, A. Osuka, D. Casanova, J. Wu
      Title: [n]Cyclo-para-biphenylmethine polyradicaloids: [n]annulene anologs and unusual valence tautomerization
      Journal: Chem
      Volume: 5
      Pages: 108-121
      Year: 2019
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    • Authors: Zisheng Zhang, Elisa Jimenez-Izal, Ive Hermans, Anastassia N. Alexandrova
      Title: Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride under Conditions of Oxidative Dehydrogenation of Propane
      Journal: J. Phys. Chem. Lett.
      Volume: 10
      Pages: 20-25
      Year: 2019
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    • Authors: Ewa N. Szlapa, Xabier Lopez, Jesus M. Ugalde
      Title: Methane Activation by Alternant [N2O2]+ and [N2S2]+ Cluster Radical Cations
      Journal: International Journal of Mass Spectrometry
      Volume: 438
      Pages: 72-77
      Year: 2019
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    • Authors: Elena Formoso, Rafael Grande-Aztatzi, and Xabier Lopez
      Title: Does phosphorylation increase the binding affinity of aluminum? A computational study on the Aluminum interaction with serine and O-phosphoserine
      Journal: Journal of Inorganic Biochemistry
      Volume: 192
      Pages: 33-44
      Year: 2019
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    • Authors: Abel Carreras, Efrem Bernuz, Xavier Marugan, Miquel Llunell and Pere Alemany
      Title: Effects of Temperature on the Shape and Symmetry of Molecules and Solids
      Journal: Chem. Eur. J.
      Volume: 25
      Pages: 673-691
      Year: 2019
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