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7416 results: 7356 articles and 60 books or book chapters

1. 2661 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. 2662 Markov state models from hierarchical density-based assignment
   I. Mitxelena, X. Lopez, and D. de Sancho
   J. Chem. Phys. 155, 054102 (2021).
3. 2663 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. 2664 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. 2665 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. 2666 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. 2667 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. 2668 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. 2669 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. 2670 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. 2671 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. 2672 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. 2673 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. 2674 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. 2675 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. 2676 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. 2677 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. 2678 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. 2679 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. 2680 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).