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6547 results: 6507 articles and 40 books or book chapters

1. 2201 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. 2202 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. 2203 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. 2204 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. 2205 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. 2206 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. 2207 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).
8. 2208 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. 2209 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. 2210 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. 2211 Analytic gradients for spin multiplets in natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 153, 044101 (2020).
12. 2212 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. 2213 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. 2214 An efficient method for strongly correlated electrons in two-dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 152, 064108 (2020).
15. 2215 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. 2216 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).
17. 2217 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).
18. 2218 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).
19. 2219 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).
20. 2220 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).