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6939 results: 6901 articles and 38 books or book chapters

1. 2601 Analytical Shannon information entropies for all discrete multidimensional hydrogenic states
   I. V. Toranzo, D. Puertas-Centeno, N. Sobrino, and J. S. Dehesa
   Int. J. Quantum Chem. 120, e26077 (2020).
2. 2602 Novel method for the production of copper(II) formates, their thermal, spectral and magnetic properties
   V. N. Krasil'nikov, V. P. Zhukov, V. Chulkov, V. Baklanova, D. G. Kellerman, I. Gyrdasova, V. Dyachkova, and A. P. Tyutyunnik
   J. Alloy. Compd. 845, 156208 (2020).
3. 2603 Tuning Paramagnetic effect of Co-Doped CdS diluted magnetic semiconductor quantum dots
   F. Ibraheem, M. A. Mahdy, E. A. Mahmoud, J. E. Ortega, C. Rogero, I. A. Mahdy, and A. El-Sayed
   J. Alloy. Compd. 834, 155196 (2020).
4. 2604 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).
5. 2605 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).
6. 2606 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).
7. 2607 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).
8. 2608 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).
9. 2609 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).
10. 2610 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).
11. 2611 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).
12. 2612 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).
13. 2613 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).
14. 2614 Analytic gradients for spin multiplets in natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 153, 044101 (2020).
15. 2615 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).
16. 2616 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).
17. 2617 An efficient method for strongly correlated electrons in two-dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 152, 064108 (2020).
18. 2618 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).
19. 2619 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).
20. 2620 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).