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266 results: 264 articles and 2 books or book chapters

1. 81 The miniJPAS and J-NEP Surveys: Machine Learning for Star-Galaxy Separation
   A. P. Jeakel, G. Vieira Dos Santos, V. Marra, R. von Marttens, S. Gurung-Lopez, R. Abramo, J. Alcaniz, N. Benitez, S. Bonoli, J. Cenarro, D. Cristobal-Hornillos, S. Daflon, R. Dupke, A. Ederoclite, R. M. Gonzalez Delgado, A. Hernan-Caballero, C. Hernandez-Monteagudo, J. Liu, C. Lopez-Sanjuan, A. Marin-Franch, et al.
   Galaxies 14, 6 (2026).
2. 82 Implicating the Role of Enhanced Oxyl Attribute in Facilitating Exceptional C-H Activation by a [Co2III,IV(μ-O)2] Diamond-Core Complex: A Theoretical Perspective
   R. Sutradhar, I. Bhattacharjee, and A. Paul
   Inorg. Chem. , (2026).
3. 83 DFT insights on ligand photodissociation pathways in ruthenium-terpyridine complexes: 3MLCT- or 3MC-triggered?
   S. Scoditti, G. Mazzone, E. Sicilia, and L. Salassa
   Inorg. Chem. 65, 9568 (2026).
4. 84 A new Cr10Ni4 seahorse featuring an oxalate ligand
   O. Churchill, R. Martin, S. J. Lockyer, G. F. S. Whitehead, G. A. Timco, D. Collison, E. J. L. McInnes, D. Reta, J. Schnack, and R. E. P. Winpenny
   Inorg. Chem. Commun. 190, 116828 (2026).
5. 85 Synthesis, structural characterization and biological evaluation of silver(I) complexes with 2-thiouracil and 2,4-dithiouracil
   F. Mastrobuono-Cordeiro, J. H. B. Nunes, G. de M. Pereira, D. H. Nakahata, S. C. L. Frajacomo, W. R. Lustri, J. E. D. Carvalho, D. H. Pereira, A. L. T. G. Ruiz, R. E. F. de Paiva, and P. P. Corbi
   Inorg. Chim. Acta 590, 122971 (2026).
6. 86 Plasmonic nanoparticle-based colorimetric sensor for detecting ribonucleases as biomarkers of Listeria spp
   M. Sanroman-Iglesias, V. Garrido, L. Saa, I. Echeverria, J. Fernandez-Irigoyen, A. L. Cortajarena, M. Grzelczak, and M. -J. Grillo
   Int. J. Food Microbiol. 444, 111452 (2026).
7. 87 Band gap renormalization drives ultrafast charge separation and slow recombination in covalently functionalized carbon nanotubes: Nonadiabatic molecular dynamics simulation
   U. Chowdhury, S. Mondal, S. Dey, A. R. Das, R. Sarkar, M. Chaudhary, A. S. Vasenko, O. V. Prezhdo, and S. Pal
   J. Am. Chem. Soc. , (2026).
8. 88 Direct experimental evidence of transient Auδ+ oxide in Au electrooxidation
   J. Redondo, A. Etxebarria, P. K. Samal, L. Albons, R. F. Climent, S. Auras, B. Smid, X. Ju, P. Matvija, F. Schiller, M. Setvin, J. Myslivecek, and S. Barja
   J. Am. Chem. Soc. 148, 12587 (2026).
9. 89 Emergent heavy-fermion physics in a family of topological insulators RAsS (R = Y, La, and Sm)
   I. Robredo, Y. Fang, L. Chen, N. Zaremba, Y. Prots, M. Krnel, M. Konig, M. I. Iraola, T. Doert, J. van den Brink, C. Felser, Q. Si, E. Svanidze, and M. G. Vergniory
   J. Am. Chem. Soc. 148, 12979 (2026).
10. 90 Proactive resource management for low-carbon cement: Application of low-grade clays in limestone calcined clay cement (LC3)
    Z. Zhang, Y. Chen, L. Cai, W. Cao, Z. Lv, M. Ye, Q. Yu, and S. Yin
    J. Build. Eng. 121, 115604 (2026).
11. 91 Computational Analysis of ELOVL6 Structure and Inhibition for Rational Drug Design
    M. G. Ibarluzea, R. Ramis, M. Fuentetaja, F. J. Gil-Bea, G. Gerenu, A. Lopez De Munain, J. M. Aizpurua, J. I. Miranda, A. Bergara, and A. Leonardo
    J. Chem Inf. Model. , (2026).
12. 92 Differential equilibration in cis- and trans-ceramide monolayers: A molecular dynamics study
    L. Saiz, J. M. G. Vilar, F. M. Goni, and A. Alonso
    J. Chem. Phys. 164, 185102 (2026).
13. 93 Molecular contributions to the thermal neutron cross sections of O2, N2, and air
    M. Simoni, F. Fernandez-Alonso, T. Giovannini, M. Krzystyniak, J. I. M. Damian, A. Marsicano, M. Martellucci, T. Minniti, R. Senesi, M. Sorbara, and G. Romanelli
    J. Chem. Phys. 164, 134109 (2026).
14. 94 Interplay between electronic and phononic energy dissipation channels in the adsorption of CO on Cu(110)
    C. A. Tachino, F. J. Gonzalez, A. S. Muzas, J. I. Juaristi, M. Alducin, and H. F. Busnengo
    J. Chem. Phys. 164, 224703 (2026).
15. 95 Machine learned potential for defected single layer hexagonal boron nitride
    J. Janisch, D. Le, and T. S. Rahman
    J. Chem. Phys. 164, 154705 (2026).
16. 96 DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals
    J. F. H. Lew-Yee, I. Mitxelena, J. M. del Campo, and M. Piris
    J. Chem. Phys. 164, 072501 (2026).
17. 97 Asymmetry and coverage dependence in two-pulse correlation measurements of CO photodesorption from Pd(111): Insights from theory
    R. Bombin, A. S. Muzas, A. Serrano Jimenez, J. I. Juaristi, and M. Alducin
    J. Chem. Phys. 164, 064709 (2026).
18. 98 From quantum mechanics to coarse-grained models: bridging the gap toward polymer rational design
    A. Semmeq, A. Ugartemendia, A. Mossa, S. Coiai, G. Brancolini, and G. Prampolini
    J. Chem. Theory Comput. 22, 5210 (2026).
19. 99 Anharmonic effects revealed by temperature-dependent phonon lifetimes and thermal conductivities in a π-conjugated molecular crystal
    G. Santamaria, F. Siddi, A. Carreras, R. Dettori, M. Simoncelli, C. Melis, D. Casanova, and D. Beljonne
    J. Chem. Theory Comput. , (2026).
20. 100 5-and 6-Membered rings: A Natural Orbital Functional study
    I. Mitxelena, J. F. H. Lew-Yee, and M. Piris
    J. Chem. Theory Comput. 22, 2799 (2026).