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7391 results: 7331 articles and 60 books or book chapters
Last updated: 2026/10/13-
3061
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). -
3062
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). -
3063
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). -
3064
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). -
3065
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). -
3066
Analytic gradients for spin multiplets in natural orbital functional
theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 153, 044101 (2020). -
3067
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). -
3068
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). -
3069
An efficient method for strongly correlated electrons in two-dimensions
I. Mitxelena, and M. Piris
J. Chem. Phys. 152, 064108 (2020). -
3070
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). -
3071
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). -
3072
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). -
3073
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). -
3074
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). -
3075
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). -
3076
Decoherence in conformal field theory
A. del Campo, and T. Takayanagi
J. High Energy Phys. , 170 (2020). -
3077
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). -
3078
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). -
3079
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). -
3080
Radio frequency and DC high voltage breakdown of high pressure helium,
argon, and xenon
K. Woodruff, J. Baeza-Rubio, D. Huerta, B. J. P. Jones, A. D. McDonald, L. Norman, D. R. Nygren, 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. K. Byrnes, S. Carcei, J. V. Carrion, S. Cebrian, et al.
J. Instrum. 15, P04022 (2020).