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6946 results: 6907 articles and 39 books or book chapters

1. 2621 Analytic gradients for spin multiplets in natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 153, 044101 (2020).
2. 2622 Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications
   A. Carreras, H. Jiang, P. Pokhilko, I. Krylov, P. M. Zimmerman, and D. Casanova
   J. Chem. Phys. 153, 214107 (2020).
3. 2623 On the microscopic origins of relaxation processes in aqueous peptide solutions undergoing a glass transition
   M. Weigler, I. Combarro-Palacios, S. Cerveny, and M. Vogel
   J. Chem. Phys. 152, 23 (2020).
4. 2624 An efficient method for strongly correlated electrons in two-dimensions
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 152, 064108 (2020).
5. 2625 Siesta: Recent developments and applications
   A. Garcia, N. Papior, A. Akhtar, E. Artacho, V. Blum, E. Bosoni, P. Brandimarte, M. Brandbyge, I. Cerda, F. Corsetti, R. Cuadrado, V. Dikan, J. Ferrer, J. Gale, P. Garcia-Fernandez, V. M. Garcia-Suarez, S. Garcia, G. Huhs, S. Illera, R. Korytar, et al.
   J. Chem. Phys. 152, 20 (2020).
6. 2626 Coherence preservation and electron-phonon interaction in electron transfer in DNA
   M. Peralta, S. Feijoo, S. Varela, V. Mujica, and E. Medina
   J. Chem. Phys. 153, 165102 (2020).
7. 2627 The CECAM electronic structure library and the modular software development paradigm
   M. J. T. Oliveira, N. Papior, Y. Pouillon, V. Blum, E. Artacho, D. Caliste, F. Corsetti, S. de Gironcoli, A. M. Elena, A. Garcia, V. M. Garcia-Suarez, L. Genovese, W. P. Huhn, G. Huhs, S. Kokott, E. Kucukbenli, A. H. Larsen, A. Lazzaro, V. Lebedeva, Y. Li, et al.
   J. Chem. Phys. 153, 024117 (2020).
8. 2628 Influence of Electronic Structure Modeling and Junction Structure on First-Principles Chiral Induced Spin Selectivity
   M. S. Zoellner, A. Saghatchi, V. Mujica, and C. Herrmann
   J. Chem. Theory Comput. 16, 7357 (2020).
9. 2629 Deformability and solvent penetration in soft nanoparticles at liquid-liquid interfaces
   D. J. Arismendi-Arrieta, and A. J. Moreno
   J. Colloid Interface Sci. 570, 212 (2020).
10. 2630 Low-diffusion Xe-He gas mixtures for rare-event detection: electroluminescence yield
    A. F. M. Fernandes, C. A. O. Henriques, R. D. P. Mano, D. Gonzalez-Diaz, C. D. R. Azevedo, P. A. O. C. Silva, J. J. Gomez-Cadenas, E. D. C. Freitas, L. M. P. Fernandes, C. M. B. Monteiro, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, et al.
    J. High Energy Phys. , 034 (2020).
11. 2631 Decoherence in conformal field theory
    A. del Campo, and T. Takayanagi
    J. High Energy Phys. , 170 (2020).
12. 2632 Coherent elastic neutrino-nucleus scattering at the European SpallationSource
    D. Baxter, J. I. Collar, P. Coloma, C. E. Dahl, I. Esteban, P. Ferrario, J. J. Gomez-Cadenas, M. C. Gonzalez-Garcia, A. R. L. Kavner, C. M. Lewis, F. Monrabal, J. M. Vidal, P. Privitera, K. Ramanathan, and J. Renner
    J. High Energy Phys. 2020, 123 (2020).
13. 2633 Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation
    R. Grande-Aztatzi, E. Formoso, I. Mujika, D. de Sancho, and X. Lopez
    J. Inorg. Biochem. 210, 111169 (2020).
14. 2634 Dependence of polytetrafluoroethylene reflectance on thickness at visible and ultraviolet wavelengths in air
    S. Ghosh, J. Haefner, J. Martin-Albo, R. Guenette, X. Li, A. A. L. Villalpando, C. Burch, 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, et al.
    J. Instrum. 15, P11031 (2020).
15. 2635 Radio frequency and DC high voltage breakdown of high pressure helium, argon, and xenon
    K. Woodruff, J. Baeza-Rubio, D. Huerta, B. J. P. Jones, A. D. McDonald, L. Norman, D. R. Nygren, 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. K. Byrnes, S. Carcei, J. V. Carrion, S. Cebrian, et al.
    J. Instrum. 15, P04022 (2020).
16. 2636 Enhanced one-photon and two-photon excited luminescence of polymer-stabilized AuAg nanoclusters aggregates
    M. Waszkielewicz, J. Olesiak-Banska, M. Grzelczak, A. Sanchez-Iglesias, A. Pniakowska, and M. Samoc
    J. Lumines. 221, 116994 (2020).
17. 2637 Spin imbalance of charge carriers induced by an electric current
    A. Hernando, F. Galvez, M. A. Garcia, and F. Guinea
    J. Magn. Magn. Mater. 496, 165904 (2020).
18. 2638 Direct and inverse spin Hall effects: Zeeman energy
    A. Hernando, M. A. Garcia, F. Galvez, and F. Guinea
    J. Magn. Magn. Mater. 500, 166369 (2020).
19. 2639 Magnetic properties of the multiferroic double perovskite lead iron niobate: Role of disorder
    N. Benkhaled, M. Djermouni, A. Zaoui, I. Kondakova, R. Kuzian, and R. Hayn
    J. Magn. Magn. Mater. 515, 167309 (2020).
20. 2640 Electronic structure and magnetic exchange interactions of Cr-based van der Waals ferromagnets. A comparative study between CrBr3 and Cr2Ge2Te6
    A. O. Fumega, S. Blanco-Canosa, H. Babu-Vasili, P. Gargiani, H. Li, J. -S. Zhou, F. Rivadulla, and V. Pardo
    J. Mater. Chem. C 8, 13582 (2020).