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6722 results: 6682 articles and 40 books or book chapters

1. 2381 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).
2. 2382 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).
3. 2383 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).
4. 2384 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).
5. 2385 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).
6. 2386 Analytic gradients for spin multiplets in natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 153, 044101 (2020).
7. 2387 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).
8. 2388 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).
9. 2389 An efficient method for strongly correlated electrons in two-dimensions
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 152, 064108 (2020).
10. 2390 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).
11. 2391 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).
12. 2392 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).
13. 2393 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).
14. 2394 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).
15. 2395 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).
16. 2396 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).
17. 2397 Decoherence in conformal field theory
    A. del Campo, and T. Takayanagi
    J. High Energy Phys. , 170 (2020).
18. 2398 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).
19. 2399 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).
20. 2400 Dependence of polytetrafluoroethylene reflectance on thickness at visible and ultraviolet wavelengths in air
    S. Ghosh, J. Haefner, J. Martin-Albo, R. Guenette, X. Li, A. A. L. Villalpando, C. Burch, C. Adams, V. Alvarez, L. Arazi, I. J. Arnquist, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, N. Byrnes, S. Carcel, V. Carrion, S. Cebrian, et al.
    J. Instrum. 15, P11031 (2020).