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6585 results: 6545 articles and 40 books or book chapters

1. 2241 Effect of dopant precursors on the optical properties of rare-earths doped oxyfluoride glass-ceramics
   G. Gorni, A. Serrano, D. Bravo, G. R. Castro, R. Balda, J. Fernandez, A. Duran, and M. J. Pascual
   J. Am. Ceram. Soc. 103, 3930 (2020).
2. 2242 Enantiospecific response in cross-polarization solid-state nuclear magnetic resonance of optically active metal organic frameworks
   E. San Sebastian, J. Cepeda, U. Huizi-Rayo, A. Terenzi, D. Finkelstein-Shapiro, D. Padro, J. I. Santos, J. M. Matxain, J. M. Ugalde, and V. Mujica
   J. Am. Chem. Soc. 142, 17989 (2020).
3. 2243 The Subchalcogenides Ir(2)In(8)Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation
   J. F. Khoury, A. J. E. Rettie, I. Robredo, M. J. Krogstad, C. D. Malliakas, A. Bergara, M. G. Vergniory, R. Osborn, S. Rosenkranz, D. Y. Chung, and M. G. Kanatzidis
   J. Am. Chem. Soc. 142, 6312 (2020).
4. 2244 Inducing Open-Shell Character in Porphyrins through Surface-Assisted Phenalenyl pi-Extension
   Q. Sun, L. M. Mateo, R. Robles, P. Ruffieux, N. Lorente, G. Bottari, T. Torres, and R. Fasel
   J. Am. Chem. Soc. 142, 18109 (2020).
5. 2245 Discovering Biomolecules with Huisgenase Activity: Designed RepeatProteins as Biocatalysts for (3+2) Cycloadditions
   I. Rivilla, M. Odriozola-Gimeno, A. Aires, A. Gimeno, J. Jimenez-Barbero, M. Torrent-Sucarrat, A. L. Cortajarena, and F. P. Cossio
   J. Am. Chem. Soc. 142, 762 (2020).
6. 2246 Melts of single-chain nanoparticles: A neutron scattering investigation
   A. Arbe, J. Rubio, P. Malo de Molina, J. Maiz, J. A. Pomposo, P. Fouquet, S. Prevost, F. Juranyi, M. Khaneft, and J. Colmenero
   J. Appl. Phys. 127, 044305 (2020).
7. 2247 Structure and properties of CoCrFeNiX multi-principal element alloys from ab initio calculations
   N. E. Koval, J. I. Juaristi, R. D. Muino, and M. Alducin
   J. Appl. Phys. 127, 145102 (2020).
8. 2248 He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions
   R. Yanes-Rodriguez, D. J. Arismendi-Arrieta, and R. Prosmiti
   J. Chem Inf. Model. 60, 3043 (2020).
9. 2249 Analytic gradients for spin multiplets in natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 153, 044101 (2020).
10. 2250 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).
11. 2251 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).
12. 2252 An efficient method for strongly correlated electrons in two-dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 152, 064108 (2020).
13. 2253 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).
14. 2254 Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water
    B. Gu, B. Cunningham, D. Munoz Santiburcio, F. Da Pieve, E. Artacho, and J. Kohanoff
    J. Chem. Phys. 153, 034113 (2020).
15. 2255 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).
16. 2256 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).
17. 2257 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).
18. 2258 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).
19. 2259 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).
20. 2260 Decoherence in conformal field theory
    A. del Campo, and T. Takayanagi
    J. High Energy Phys. , 170 (2020).