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439 results: 438 articles and 1 books or book chapters

1. 121 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).
2. 122 Markov state models from hierarchical density-based assignment
   I. Mitxelena, X. Lopez, and D. de Sancho
   J. Chem. Phys. 155, 054102 (2021).
3. 123 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).
4. 124 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).
5. 125 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).
6. 126 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).
7. 127 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).
8. 128 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).
9. 129 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).
10. 130 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).
11. 131 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).
12. 132 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).
13. 133 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).
14. 134 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).
15. 135 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).
16. 136 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).
17. 137 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).
18. 138 Nd(3+)doped- SiO2-KLaF4 oxyfluoride glass-ceramics prepared by sol-gel
    M. Eugenia Cruz, J. Li, G. Gorni, A. Duran, G. C. Mather, R. Balda, J. Fernandez, and Y. Castro
    J. Lumines. 235, 118035 (2021).
19. 139 Novel insights into the magnetic behavior of non-stoichiometric LaMnO3+delta nanoparticles
    R. Cortes-Gil, A. Hernando, J. M. Alonso, K. M. Sigcho-Villacis, A. Azor-Lafarga, J. L. Martinez, M. L. Ruiz-Gonzalez, and J. M. Gonzalez-Calbet
    J. Mater. Chem. C 9, 10361 (2021).
20. 140 Deep Learning on Chest X-ray Images to Detect and Evaluate Pneumonia Cases at the Era of COVID-19
    K. Hammoudi, H. Benhabiles, M. Melkemi, F. Dornaika, I. Arganda-Carreras, D. Collard, and A. Scherpereel
    J. Med. Syst. 45, 75 (2021).