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7309 results: 7249 articles and 60 books or book chapters

1. 121 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).
2. 122 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. 22, 5742 (2026).
3. 123 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).
4. 124 Unraveling charge and energy transfer in a singlet fission donor-acceptor complex: An ab initio quantum dynamical study
   K. S. Thalmann, P. B. Coto, and M. Thoss
   J. Chem. Theory Comput. 22, 2129 (2026).
5. 125 Effect of pressure on molecular and transition-state geometries
   J. Laranjeira, R. Lang, R. Cammi, and B. Chen
   J. Chem. Theory Comput. 22, 2299 (2026).
6. 126 Spin-permutation diabatization: A general framework for spin localization and exchange coupling
   A. Omist, and D. Casanova
   J. Chem. Theory Comput. 22, 963 (2026).
7. 127 Reaction of the saccharinate (sac)-bridged triosmium [Os(CO)(µ-H)(µ-N,O-sac)] with PhPSe: synthesis, crystal and electronic structures of the two isomers of [Os(CO)(µ-H)(PPh)(µ-N, O-sac)(µ-Se)]
   M. M. Rana, M. C. Sarker, V. N. Nesterov, G. E. Pieslinger, and S. Ghosh
   J. Clust. Sci. 37, 124 (2026).
8. 128 Quantum interference and aromaticity control in triazine-based molecular junctions: A combined Green's function and density functional theory study
   S. M. Quintero, A. Brotons‐Rufes, I. Casademont‐Reig, A. Poater, M. Solà, S. Posada‐Pérez, and M. Alonso
   J. Comput. Chem. 47, e70371 (2026).
9. 129 Localized molecular orbitals for single excitation theories
   A. Manjanath, D. Casanova, R. Sahara, and C. -P. Hsu
   J. Comput. Chem. 47, e70293 (2026).
10. 130 J-PAS: forecast on the primordial power spectrum reconstruction
    G. Martinez-Somonte, A. Marcos-Caballero, E. Martinez-Gonzalez, A. L. Maroto, M. Quartin, R. Abramo, J. Alcaniz, N. Benitez, S. Bonoli, S. Carneiro, J. Cenarro, D. Cristobal-Hornillos, S. Daflon, R. Dupke, A. Ederoclite, R. M. G. Delgado, A. Hernan-Caballero, C. Hernandez-Monteagudo, J. Liu, C. Lopez-Sanjuan, et al.
    J. Cosmol. Astropart. Phys. 2026, 058 (2026).
11. 131 Low-redshift constraints on structure growth from CMB lensing tomography
    A. Rubiola, M. Zennaro, C. Garcia-Garcia, D. Alonso, and R. E. Angulo
    J. Cosmol. Astropart. Phys. 2026, 016 (2026).
12. 132 Regenerated cellulose-lignin composite films for efficient removal of cationic dyes and Pb(II) ions from aqueous media
    H. Kandil, I. Rivilla, J. Labidi, and A. E. Abdelhamid
    J. Environ. Chem. Eng. 14, 124271 (2026).
13. 133 Coherent elastic neutrino-nucleus scattering at the Japan ProtonAccelerator Research Complex
    J. I. Collar, I. Esteban, J. J. Gomez-Cadenas, M. C. Gonzalez-Garcia, L. C. Ji, L. Larizgoitia, C. M. Lewis, F. Monrabal, J. P. Pinheiro., A. Simon, and S. G. Yoon
    J. High Energy Phys. 2026, 106 (2026).
14. 134 Dopaminergic expression and the regulation of foraging in response to water stress
    J. F. Kamhi, D. Ye, J. Chen, H. L. Do, C. W. Marble, J. Starcke, I. Arganda-Carreras, and D. M. Gordon
    J. Insect Physiol. 172, 105014 (2026).
15. 135 Muon tracking in a LiquidO opaque scintillator detector
    J. Apilluelo, L. Asquith, E. F. Bannister, N. P. Barradas, C. L. Baylis, J. L. Beney, M. Berberan e Santos, X. de la Bernardie, T. J. C. Bezerra, M. Bongrand, C. Bourgeois, D. Breton, J. Busto, A. Cabrera, A. Cadiou, E. Calvo, M. de Carlos Generowicz, E. Chauveau, B. J. Cattermole, M. Chen, et al.
    J. Instrum. 21, P01010 (2026).
16. 136 The vacancy-induced magnetism of MgO single crystals and its role in the measurement of the magnetic properties of atomically thin films
    I. Llamas, J. L. Fernandez-Cunado, C. Navio, P. Marin, P. de la Presa, R. Miranda, and A. Hernando
    J. Magn. Magn. Mater. 646, 173986 (2026).
17. 137 Designing diphosphines towards photo- and electro-luminescent homolepticCu(i)/Ag(i) complexes
    S. Lipinski, T. Pickl, Y. Atoini, S. Sansotta, J. -L. Schmitt, L. M. Cavinato, A. Pothig, J. Fernandez-Cestau, P. B. Coto, and R. D. Costa
    J. Mater. Chem. C 14, 7674 (2026).
18. 138 Synthesis and insights into crystal structure, lattice dynamics and dielectric function of a new 9P-van der Waals compound SnBi4Te4
    Z. S. Aliev, K. Z. Mehtiyeva, E. H. Alizade, Z. A. Jahangirli, M. Casciaro, M. Papagno, M. M. Otrokov, M. Isobe, I. R. Amiraslanov, F. J. Zuniga, N. T. Mamedov, and E. V. Chulkov
    J. Mater. Sci.-Mater. Electron. 37, 282 (2026).
19. 139 Thiosaccharinate-bridged triosmium clusters containing a pnictogen donor ligand: Synthesis, structure, isomerism and electronic structure calculations
    I. Jahan, M. R. S. Keya, M. S. Hasan, S. Rajbangshi, V. N. Nesterov, G. E. Pieslinger, S. Ghosh, and S. E. Kabir
    J. Mol. Struct. 1367, 146111 (2026).
20. 140 Fano resonances in the emission spectra of J-aggregate-covered plasmonic nanorods attached to a spherical cavity
    D. Cunha, A. Olejniczak, A. Jumbo-Nogales, Y. Rakovich, and I. Vasilevskiy
    J. Opt. 28, 015004 (2026).