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7161 results: 7118 articles and 43 books or book chapters

1. 2401 Resolution of the identity approximation applied to PNOF correlation calculations
   J. F. Huan Lew-Yee, M. Piris, and J. M. del Campo
   J. Chem. Phys. 154, 064102 (2021).
2. 2402 Unraveling the coherent dynamic structure factor of liquid water at the mesoscale by molecular dynamics simulations
   F. Alvarez, A. Arbe, and J. Colmenero
   J. Chem. Phys. 155, 244509 (2021).
3. 2403 Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems
   J. A. Rodriguez-Jimenez, A. Carreras, and D. Casanova
   J. Chem. Phys. 154, 124116 (2021).
4. 2404 From the dipole of a crystallite to the polarization of a crystal
   R. Resta
   J. Chem. Phys. 154, 050901 (2021).
5. 2405 Faraday law, oxidation numbers, and ionic conductivity: The role of topology
   R. Resta
   J. Chem. Phys. 155, 244503 (2021).
6. 2406 Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
   E. Epifanovsky, A. T. B. Gilbert, X. Feng, J. Lee, Y. Mao, N. Mardirossian, P. Pokhilko, A. F. White, M. P. Coons, A. L. Dempwolff, Z. Gan, D. Hait, P. R. Horn, L. D. Jacobson, I. Kaliman, J. Kussmann, A. W. Lange, K. U. Lao, D. S. Levine, J. Liu, et al.
   J. Chem. Phys. 155, 084801 (2021).
7. 2407 Markov state models from hierarchical density-based assignment
   I. Mitxelena, X. Lopez, and D. de Sancho
   J. Chem. Phys. 155, 054102 (2021).
8. 2408 Photoinduced desorption dynamics of CO from Pd(111): a neural network approach
   A. Serrano Jimenez, A. P. Sanchez Muzas, Y. Zhang, J. Ovcar, B. Jiang, I. Loncaric, J. Inaki Juaristi, and M. Alducin
   J. Chem. Theory Comput. 17, 4648 (2021).
9. 2409 Ultrafast Dynamics of Electronic Resonances in Molecules Adsorbed on Metal Surfaces: A Wave Packet Propagation Approach
   F. Aguilar-Galindo, A. G. Borisov, and S. Diaz-Tendero
   J. Chem. Theory Comput. 17, 639 (2021).
10. 2410 Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
    M. Rodriguez-Mayorga, I. Mitxelena, F. Bruneval, and M. Piris
    J. Chem. Theory Comput. 17, 7562 (2021).
11. 2411 Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies
    V. Postils, F. Ruiperez, and D. Casanova
    J. Chem. Theory Comput. 17, 5825 (2021).
12. 2412 J-PAS: forecasts for dark matter-dark energy elastic couplings
    D. Figueruelo, M. Aparicio Resco, F. A. Teppa Pannia, J. Beltran Jimenez, D. Bettoni, A. L. Maroto, L. R. Abramo, J. Alcaniz, N. Benitez, S. Bonoli, S. Carneiro, J. Cenarro, D. Cristobal-Hornillos, R. A. Dupke, A. Ederoclite, C. Lopez-Sanjuan, A. Marin-Franch, V. Marra, C. M. de Oliveira, M. Moles, et al.
    J. Cosmol. Astropart. Phys. , 022 (2021).
13. 2413 Inflation story: slow-roll and beyond
    D. K. Hazra, D. Paoletti, I. Debono, A. Shafieloo, G. F. Smoot, and A. A. Starobinsky
    J. Cosmol. Astropart. Phys. 2021, 038 (2021).
14. 2414 J-PAS: forecasts on interacting vacuum energy models
    V. Salzano, C. Pigozzo, M. Benetti, H. A. Borges, R. von Marttens, S. Carneiro, J. S. Alcaniz, J. C. Fabris, S. Tsujikawa, N. Benitez, S. Bonoli, A. J. Cenarro, D. Cristobal-Hornillos, R. A. Dupke, A. Ederoclite, C. Lopez-Sanjuan, A. Marin-Franch, V. Marra, M. Moles, C. M. de Oliveira, et al.
    J. Cosmol. Astropart. Phys. , 033 (2021).
15. 2415 Enhancing arsenic adsorption via excellent dispersion of iron oxide nanoparticles inside poly(vinyl alcohol) nanofibers
    N. Torasso, A. Vergara-Rubio, P. Rivas-Rojas, C. Huck-Iriart, A. Larranaga, A. Fernandez-Cirelli, S. Cerveny, and S. Goyanes
    J. Environ. Chem. Eng. 9, 104664 (2021).
16. 2416 Sensitivity of a tonne-scale NEXT detector for neutrinoless double-betadecay searches
    C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, V. Carrion, S. Cebrian, E. Church, C. A. N. Conde, T. Contreras, A. A. Denisenko, G. Diaz, J. Diaz, J. Escada, et al.
    J. High Energy Phys. 2021, 164 (2021).
17. 2417 Demonstration of background rejection using deep convolutional neural networks in the NEXT experiment
    M. Kekic, C. Adams, K. Woodruff, J. Renner, E. Church, M. Del Tutto, J. A. Hernando Morata, J. J. Gomez-Cadenas, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, V. Carrion, S. Cebrian, et al.
    J. High Energy Phys. , 189 (2021).
18. 2418 Universal statistics of vortices in a newborn holographic superconductor: beyond the Kibble-Zurek mechanism
    A. del Campo, F. Javier Gomez-Ruiz, Z. -H. Li, C. -Y. Xia, H. -B. Zeng, and H. -Q. Zhang
    J. High Energy Phys. , 61 (2021).
19. 2419 Sensitivity of the NEXT experiment to Xe-124 double electron capture
    G. Martinez-Lema, M. Martinez-Vara, M. Sorel, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, J. V. Carrion, S. Cebrian, E. Church, C. A. N. Conde, T. Contreras, G. Diaz, et al.
    J. High Energy Phys. , 203 (2021).
20. 2420 Boosting background suppression in the NEXT experiment through Richardson-Lucy deconvolution
    A. Simon, Y. Ifergan, A. B. Redwine, R. Weiss-Babai, L. Arazi, C. Adams, H. Almazan, V. Alvarez, B. Aparicio, I. Aranburu, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, V. Carrion, S. Cebrian, et al.
    J. High Energy Phys. , 146 (2021).