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6976 results: 6933 articles and 43 books or book chapters
Last updated: 11/02/2026-
2221
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). -
2222
Markov state models from hierarchical density-based assignment
I. Mitxelena, X. Lopez, and D. de Sancho
J. Chem. Phys. 155, 054102 (2021). -
2223
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). -
2224
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). -
2225
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). -
2226
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). -
2227
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). -
2228
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). -
2229
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). -
2230
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). -
2231
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). -
2232
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). -
2233
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). -
2234
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). -
2235
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). -
2236
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). -
2237
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). -
2238
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). -
2239
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). -
2240
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).