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6703 results: 6663 articles and 40 books or book chapters

1. 2361 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).
2. 2362 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).
3. 2363 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).
4. 2364 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).
5. 2365 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).
6. 2366 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).
7. 2367 Analytic gradients for spin multiplets in natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 153, 044101 (2020).
8. 2368 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).
9. 2369 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).
10. 2370 An efficient method for strongly correlated electrons in two-dimensions
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 152, 064108 (2020).
11. 2371 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).
12. 2372 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).
13. 2373 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).
14. 2374 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).
15. 2375 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).
16. 2376 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).
17. 2377 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).
18. 2378 Decoherence in conformal field theory
    A. del Campo, and T. Takayanagi
    J. High Energy Phys. , 170 (2020).
19. 2379 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).
20. 2380 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).