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6834 results: 6796 articles and 38 books or book chapters
Last updated: 2025/11/05-
2501
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). -
2502
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). -
2503
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). -
2504
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). -
2505
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). -
2506
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). -
2507
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). -
2508
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). -
2509
Analytic gradients for spin multiplets in natural orbital functional
theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 153, 044101 (2020). -
2510
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). -
2511
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). -
2512
An efficient method for strongly correlated electrons in two-dimensions
I. Mitxelena, and M. Piris
J. Chem. Phys. 152, 064108 (2020). -
2513
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). -
2514
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). -
2515
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). -
2516
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). -
2517
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). -
2518
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). -
2519
Decoherence in conformal field theory
A. del Campo, and T. Takayanagi
J. High Energy Phys. , 170 (2020). -
2520
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).