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6582 results: 6542 articles and 40 books or book chapters

1. 2241 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. 2242 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).
3. 2243 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. 2244 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. 2245 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. 2246 Analytic gradients for spin multiplets in natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 153, 044101 (2020).
7. 2247 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. 2248 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. 2249 An efficient method for strongly correlated electrons in two-dimensions
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 152, 064108 (2020).
10. 2250 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. 2251 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. 2252 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. 2253 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. 2254 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. 2255 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. 2256 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. 2257 Decoherence in conformal field theory
    A. del Campo, and T. Takayanagi
    J. High Energy Phys. , 170 (2020).
18. 2258 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. 2259 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. 2260 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).