Search publications

Search results

6610 results: 6570 articles and 40 books or book chapters

1. 401 Planar tetracoordinate beryllium in σ-aromatic Li4Be and Na4Be clusters: a missing member in first-octal row planar tetracoordinate family
   L. -hong Miao, L. -juan Cui, H. Zhang, M. Orozco-Ic, Y. -F. Yang, S. Pan, and Z. -huaCui
   J. Chem. Phys. 161, 244303 (2024).
2. 402 Assessing the global natural orbital functional approximation on model systems with strong correlation
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 160, 204106 (2024).
3. 403 Intramolecular singlet fission: quantum dynamical simulations including the effect of the laser field
   S. R. Reddy, P. B. Coto, and M. Thoss
   J. Chem. Phys. 160, 194306 (2024).
4. 404 Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
   L. A. Montero-Cabrera, A. L. Montero-Alejo, A. Aspuru-Guzik, J. M. G. de la Vega, M. Piris, L. A. Diaz-Fernandez, Y. Perez-Badell, A. Guerra-Barroso, J. E. Alfonso-Ramos, J. Rodriguez, M. E. Fuentes, and C. M. de Armas
   J. Chem. Phys. 160, 214108 (2024).
5. 405 Time evolution of natural orbitals in ab initio molecular dynamics
   A. Rivero Santamaria, and M. Piris
   J. Chem. Phys. 160, 071102 (2024).
6. 406 Electronic couplings for triplet-triplet annihilation upconversion in cystal rubrene
   A. Diaz-Andres, C. Tonnele, and D. Casanova
   J. Chem. Theory Comput. 20, 4288 (2024).
7. 407 Electron-spin relaxation in boron-doped graphene nanoribbons
   R. A. Boto, A. Cebreiro-Gallardo, R. E. Menchon, and D. Casanova
   J. Chem. Theory Comput. 20, 9906 (2024).
8. 408 Physically motivated improvements of variational quantum eigensolvers
   N. Vaquero-Sabater, A. Carreras, R. Orus, N. J. Mayhall, and D. Casanova
   J. Chem. Theory Comput. 20, 5133 (2024).
9. 409 Small-occupation density functional correlation energy correction to wave function approximations
   J. A. Rodriguez-Jimenez, A. Carreras, and D. Casanova
   J. Chem. Theory Comput. 20, 1118 (2024).
10. 410 Spurious oscillations caused by density functional approximations: Who is to blame? Exchange or correlation?
    S. P. Sitkiewicz, R. R. Ferradas, E. Ramos-Cordoba, R. Zalesny, E. Matito, and J. M. Luis
    J. Chem. Theory Comput. 20, 3144 (2024).
11. 411 Excited states by coupling Piris natural orbital functionals with the extended random-phase approximation
    J. F. H. Lew-Yee, I. A. Bonfil-Rivera, M. Piris, and J. M. del Campo
    J. Chem. Theory Comput. 20, 2140 (2024).
12. 412 Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
    L. Nagar, M. Fernandez-Pendas, J. M. Sanz-Serna, and E. Akhmatskaya
    J. Comput. Phys. 502, 112800 (2024).
13. 413 Growth history and quasar bias evolution at z < 3 from Quaia
    G. Piccirilli, G. Fabbian, D. Alonso, K. Storey-Fisher, J. Carron, A. Lewis, and C. Garcia-Garcia
    J. Cosmol. Astropart. Phys. 2024(06), 012 (2024).
14. 414 The effective field theory of large-scale structure and multi-tracer II:redshift space and realistic tracers
    T. Mergulhao, H. Rubirab, and R. Voivodicc
    J. Cosmol. Astropart. Phys. 2024(01), 008 (2024).
15. 415 Cosmic shear with small scales: DES-Y3, KiDS-1000 and HSC-DR1
    C. Garcia-Garcia, M. Zennaro, G. Arico, D. Alonso, and R. E. Angulo
    J. Cosmol. Astropart. Phys. 2024(08), 24 (2024).
16. 416 Galaxy bias in the era of LSST: perturbative bias expansions
    A. Nicola, B. Hadzhiyska, N. Findlay, C. Garcia-Garcia, D. Alonso, A. Slosar, Z. Guo, N. Kokron, R. Angulo, A. Aviles, J. Blazek, J. Dunkley, B. Jain, M. Pellejero, J. Sullivan, C. W. Walter, and M. Zennaro
    J. Cosmol. Astropart. Phys. 2024(02), 15 (2024).
17. 417 Theory of circular dichroism in angle- and spin-resolved photoemission from the surface state on Bi(111)
    E. E. Krasovskii
    J. Electron Spectrosc. Relat. Phenom. 277, 147501 (2024).
18. 418 Study of paraffinic and biobased microencapsulated PCMs with reduced graphene oxide as thermal energy storage elements in cement-based materials for building applications
    E. Erkizia, C. Strunz, J. -l. Dauvergne, G. Goracci, I. Peralta, A. Serrano, A. Ortega, B. Alonso, F. Zanoni, M. Duengfelder, J. S. Dolado, J. J. Gaitero, C. Mankel, and E. Koenders
    J. Energy Storage 84, 110675 (2024).
19. 419 Exploring the role of surface roughness in concrete-based thermal energy storage systems: A computational study
    M. Rahjoo, E. Rojas, G. Goracci, and J. S. Dolado
    J. Energy Storage 88, 111515 (2024).
20. 420 Luminescence of Nd3+-doped LaF3 glass-ceramics enhanced with Ag nanoparticles
    M. Sedano, G. Gorni, G. C. Mather, A. Duran, J. Fernandez, R. Balda, and M. J. Pascual
    J. Eur. Ceram. Soc. 44, 2427 (2024).