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6976 results: 6933 articles and 43 books or book chapters

1. 2641 Crystal structure and cation ordering in novel perovskite type oxides PrBaCoTa(Nb)O6-delta
   V. Politov, S. N. Marshenya, M. O. Kalinkin, M. Y. Mychinko, A. Y. Suntsov, S. A. Petrova, V. P. Zhukov, V. Chulkov, and V. L. Kozhevnikov
   J. Alloy. Compd. 824, 153909 (2020).
2. 2642 Effect of preparation methods on magnetic properties of stoichiometric zinc ferrite
   M. A. Cobos, P. de la Presa, I. Llorente, A. Garcia-Escorial, A. Hernando, and J. A. Jimenez
   J. Alloy. Compd. 849, 156353 (2020).
3. 2643 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).
4. 2644 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).
5. 2645 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).
6. 2646 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).
7. 2647 Discovering biomolecules with Huisgenase activity: Designed repeat proteins 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).
8. 2648 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).
9. 2649 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).
10. 2650 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).
11. 2651 Analytic gradients for spin multiplets in natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 153, 044101 (2020).
12. 2652 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).
13. 2653 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).
14. 2654 An efficient method for strongly correlated electrons in two-dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 152, 064108 (2020).
15. 2655 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).
16. 2656 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).
17. 2657 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).
18. 2658 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).
19. 2659 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).
20. 2660 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).