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6939 results: 6901 articles and 38 books or book chapters

1. 2181 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).
2. 2182 From the dipole of a crystallite to the polarization of a crystal
   R. Resta
   J. Chem. Phys. 154, 050901 (2021).
3. 2183 Faraday law, oxidation numbers, and ionic conductivity: The role of topology
   R. Resta
   J. Chem. Phys. 155, 244503 (2021).
4. 2184 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).
5. 2185 Markov state models from hierarchical density-based assignment
   I. Mitxelena, X. Lopez, and D. de Sancho
   J. Chem. Phys. 155, 054102 (2021).
6. 2186 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).
7. 2187 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).
8. 2188 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).
9. 2189 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).
10. 2190 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).
11. 2191 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).
12. 2192 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).
13. 2193 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).
14. 2194 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).
15. 2195 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).
16. 2196 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).
17. 2197 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).
18. 2198 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).
19. 2199 Kojic acid derivatives as double face ligands for metal and phosphate ions.
    I. Lachowicz, D. Todde, K. Aberamchuk, G. Picci, S. Murgia, V. M. Nurchi, M. Klepka, D. Kalinowska, G. Dalla Torre, J. Mujika, X. Lopez, and C. Caltagirone
    J. Inorg. Biochem. 222, 111520 (2021).
20. 2200 A readout system for microwave kinetic inductance detectors using software defined radios
    M. Shafiee, D. Fedorov, B. Grossan, V. Kizheppatt, and G. F. Smoot
    J. Instrum. 16, P07015 (2021).