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7309 results: 7249 articles and 60 books or book chapters

1. 101 Focusing on electronic properties of ruthenium polypyridyl complexes for anticancer therapy: computational rationalization of photoinduced cytotoxicity
   F. Ponte, D. Belletto, S. Scoditti, G. Mazzone, and E. Sicilia
   Inorg. Chim. Acta 602, 123359 (2026).
2. 102 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).
3. 103 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. 148, 24538 (2026).
4. 104 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).
5. 105 Open- and closed-shell roles of sensitizer and annihilato in pseudo-single component mixtures for ppconversion
   K. D. Richards, W. Wang, P. Thielert, J. D. Green, J. M. Hudson, C. Tonnele, D. Casanova, Y. Olivier, T. J. H. Hele, S. Richert, F. Li, and E. W. Evans
   J. Am. Chem. Soc. , (2026).
6. 106 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).
7. 107 Suppressing anisotropy in nanostructured Fe/Ni superlattices with monolayer periodicity
   I. Llamas, S. Aberturas, J. L. Fernandez-Cunado, C. Navio, A. Hernando, and R. Miranda
   J. Appl. Phys. 140, 053901 (2026).
8. 108 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).
9. 109 Computational Analysis of ELOVL6 Structure and Inhibition for RationalDrug 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. 66, 7264 (2026).
10. 110 MartiniSurf: Automated simulations of surface-immobilized biomolecular systems with Martini
    J. C. Jimenez-Garcia, F. Lopez-Gallego, X. Lopez, and D. De Sancho
    J. Chem Inf. Model. , (2026).
11. 111 A Python-based module for exploring machine learning-inspired optimization algorithms using quantum chemistry
    J. F. H. Lew-Yee, E. Rezabal, X. Lopez, M. Piris, and J. M. Mercero
    J. Chem. Educ. 103, 3929 (2026).
12. 112 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. 113 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. 114 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. 115 Mesoscale dynamics and the microscopic origin of the Q0-mode in molecular liquids: A molecular dynamics study of tetrahydrofuran
    D. Ghoshal, F. Alvarez, A. Arbe, and J. Colmenero
    J. Chem. Phys. 165, 054501 (2026).
16. 116 Toward more accurate natural orbital functional approximations: Including 4-index cumulant contributions
    V. Chuiko, P. W. Ayers, and E. Matito
    J. Chem. Phys. 165, 054105 (2026).
17. 117 Machine learned potential for defected single layer hexagonal boron nitride
    J. Janisch, D. Le, and T. S. Rahman
    J. Chem. Phys. 164, 154705 (2026).
18. 118 Mixed quantum-classical simulations of intramolecular singlet fission
    R. Smorka, J. E. Runeson, M. Thoss, S. R. Reddy, P. B. Coto, J. R. Mannouch, and J. O. Richardson
    J. Chem. Phys. 165, 034302 (2026).
19. 119 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).
20. 120 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).