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6839 results: 6801 articles and 38 books or book chapters
Last updated: Nov 12, 2025-
2501
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). -
2502
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). -
2503
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). -
2504
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). -
2505
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). -
2506
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). -
2507
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). -
2508
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). -
2509
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). -
2510
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). -
2511
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). -
2512
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). -
2513
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). -
2514
Analytic gradients for spin multiplets in natural orbital functional
theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 153, 044101 (2020). -
2515
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). -
2516
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). -
2517
An efficient method for strongly correlated electrons in two-dimensions
I. Mitxelena, and M. Piris
J. Chem. Phys. 152, 064108 (2020). -
2518
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). -
2519
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). -
2520
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).