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7397 results: 7337 articles and 60 books or book chapters

1. 161 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).
2. 162 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).
3. 163 Chemical bonds in molecules are covalent but not ionic
   Y. Li, C. Ding, S. Pan, and G. Frenking
   J. Chem. Theory Comput. 22, 8868 (2026).
4. 164 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).
5. 165 Mechanical tuning of singlet-triplet resonance for efficient triplet-triplet annihilation upconversion
   E. Miranda-Saenz, P. B. Coto, and L. M. Frutos
   J. Chem. Theory Comput. 22, 10381 (2026).
6. 166 Refractory to improvement: a cautionary tale of two-electron densities computed with one-electron basis sets and of their employment in quantum-chemical formalisms
   J. Cioslowski, J. Domin, and E. Matito
   J. Chem. Theory Comput. 22, 7609 (2026).
7. 167 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).
8. 168 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).
9. 169 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).
10. 170 Spin-permutation diabatization: A general framework for spin localization and exchange coupling
    A. Omist, and D. Casanova
    J. Chem. Theory Comput. 22, 963 (2026).
11. 171 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).
12. 172 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).
13. 173 Localized molecular orbitals for single excitation theories
    A. Manjanath, D. Casanova, R. Sahara, and C. -P. Hsu
    J. Comput. Chem. 47, e70293 (2026).
14. 174 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).
15. 175 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).
16. 176 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).
17. 177 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).
18. 178 Radon-induced backgrounds in the NEXT-100 experiment
    C. Cortes-Parra, P. Novella, G. Martinez-Lema, H. Almazan, V. Alvarez, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, Y. Ayyad, C. D. R. Azevedo, F. Ballester, J. E. Barcelon, M. del Barrio-Torregrosa, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, A. Brodoline, N. Byrnes, A. Castillo, E. Church, et al.
    J. High Energy Phys. 2026, 82 (2026).
19. 179 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).
20. 180 High voltage delivery and distribution for the NEXT-100 Time Projection Chamber
    C. Adams, H. Almazan, V. Alvarez, K. Bailey, R. Guenette, B. J. P. Jones, S. Johnston, K. Mistry, F. Monrabal, D. R. Nygren, B. Palmeiro, L. Rogers, J. Waldschmidt, A. I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, F. Ballester, et al.
    J. Instrum. 21, P07001 (2026).