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6690 results: 6649 articles and 40 books or book chapters

1. 1921 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. 1922 From the dipole of a crystallite to the polarization of a crystal
   R. Resta
   J. Chem. Phys. 154, 050901 (2021).
3. 1923 Faraday law, oxidation numbers, and ionic conductivity: The role of topology
   R. Resta
   J. Chem. Phys. 155, 244503 (2021).
4. 1924 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. 1925 Markov state models from hierarchical density-based assignment
   I. Mitxelena, X. Lopez, and D. de Sancho
   J. Chem. Phys. 155, 054102 (2021).
6. 1926 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. 1927 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. 1928 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. 1929 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. 1930 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. 1931 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. 1932 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. 1933 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. 1934 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. 1935 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. 1936 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. 1937 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. 1938 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. 1939 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. 1940 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).