Argitalpen bilaketa

Bilaketaren emaitzak

7316 results: 7256 articles and 60 books or book chapters

1. 121 Machine learned potential for defected single layer hexagonal boron nitride
   J. Janisch, D. Le, and T. S. Rahman
   J. Chem. Phys. 164, 154705 (2026).
2. 122 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).
3. 123 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).
4. 124 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).
5. 125 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).
6. 126 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).
7. 127 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. 128 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. 129 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. 130 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. 131 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. 132 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. 133 Localized molecular orbitals for single excitation theories
    A. Manjanath, D. Casanova, R. Sahara, and C. -P. Hsu
    J. Comput. Chem. 47, e70293 (2026).
14. 134 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. 135 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. 136 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. 137 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. 138 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).
19. 139 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).
20. 140 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).