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6834 results: 6796 articles and 38 books or book chapters
Last updated: 05/11/2025-
1161
Physical aging in molecular glasses beyond the α relaxation
V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
J. Chem. Phys. 159, 064505 (2023). -
1162
Orbital-free density-functional theory for metal slabs
C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
J. Chem. Phys. 159, 164112 (2023). -
1163
What can lattice DFT teach us about real-space DFT?
N. Sobrino, D. Jacob, and S. Kurth
J. Chem. Phys. 159, 154110 (2023). -
1164
Collective dynamics and self-motions in the van der Waals liquid
tetrahydrofuran from meso- to inter-molecular scales disentangled by
neutron spectroscopy with polarization analysis
A. Arbe, G. J. Nilsen, M. Devonport, B. Farago, F. Alvarez, J. A. M. Gonzalez, and J. Colmenero
J. Chem. Phys. 158, 184502 (2023). -
1165
Electron correlation in the Iron(II) porphyrin by natural orbital functional approximations
J. F. H. Lew-Yee, J. M. del Campo, and M. Piris
J. Chem. Theory Comput. 19, 211 (2023). -
1166
All-purpose measure of electron correlation for multireference diagnostics
X. Xu, L. Soriano-Agueda, X. Lopez, E. Ramos-Cordoba, and E. Matito
J. Chem. Theory Comput. 20, 721 (2023). -
1167
Are accelerated and enhanced wave function methods accurate to compute static linear and nonlinear optical properties?
C. Naim, P. Besalu-Sala, R. Zalesny, J. M. Luis, F. Castet, and E. Matito
J. Chem. Theory Comput. 19, 1753 (2023). -
1168
Extracting quantitative information at quantum mechanical level from noncovalent interaction index analyses
E. K. Wieduwil, R. A. Boto, G. Macetti, R. Laplaza, J. Contreras-Garcia, and A. Genoni
J. Chem. Theory Comput. 19, 1063 (2023). -
1169
Electronic descriptors for supervised spectroscopic predictions
C. M. de Armas-Morejon, L. A. Montero-Cabrera, A. Rubio, and J. Jornet-Somoza
J. Chem. Theory Comput. 19, 1818 (2023). -
1170
Insights into the coordination chemistry of antineoplastic doxorubicinwith 3d-transition metal ions Zn2+, Cu2+, and VO2+: a study using well-calibrated thermodynamic cyclesand chemical interaction quantum chemistry models
J. Reyna-Luna, L. Soriano-Agueda, C. J. Vera, and M. Franco-Perez
J. Comput.-Aided Mol. Des. 37, 279 (2023). -
1171
Euclid: modelling massive neutrinos in cosmology a codecomparison
J. Adamek, R. E. Angulo, C. Arnold, M. Baldi, M. Biagetti, B. Bose, C. Carbone, T. Castro, J. Dakin, K. Dolag, W. Elbers, C. Fidler, C. Giocoli, S. Hannestad, F. Hassani, C. Hernandez-Aguayo, K. Koyama, B. Li, R. Mauland, P. Monaco, et al.
J. Cosmol. Astropart. Phys. 06, 035 (2023). -
1172
Dark matter from primordial black holes would hold charge
I. J. Araya, N. D. Padilla, M. E. Rubio, J. Sureda, J. Magana, and L. Osorio
J. Cosmol. Astropart. Phys. 02, 030 (2023). -
1173
A numerical study of geopolymer concrete thermal energy storage:
Benchmarking TES module design and optimizing thermal performance
M. Rahjoo, E. Rojas, G. Goracci, J. J. Gaitero, P. Martauz, and J. S. Dolado
J. Energy Storage 74, 109389 (2023). -
1174
Demonstration of neutrinoless double beta decay searches in gaseous xenon with NEXT
P. Novella, M. Sorel, A. Uson, C. Adams, H. Almazan, V. Alvarez, B. Aparicio, I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, K. Bailey, F. Ballester, M. del Barrio-Torregrosa, A. Bayo, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, S. Bounasser, et al.
J. High Energy Phys. 2023, 190 (2023). -
1175
Non-Hermitian Hamiltonian deformations in quantum mechanics
A. S. Matsoukas-Roubeas, F. Roccati, J. Cornelius, Z. Xu, A. Chenu, and A. del Campo
J. High Energy Phys. 2023, 60 (2023). -
1176
A new complex of silver(I) with probenecid: Synthesis, characterization,
and studies of antibacterial and extended spectrum β-lactamases (ESBL)
inhibition activities
W. R. Lustri, S. C. Lazarini, N. A. S. Aquaroni, F. A. Resende, N. A. Aleixo, D. H. Pereira, B. C. Lustri, C. G. Moreira, C. M. Ribeiro, F. R. Pavan, D. H. Nakahata, A. M. Goncalves, N. M. Nascimento-Junior, and P. P. Corbi
J. Inorg. Biochem. 243, 112201 (2023). -
1177
Understanding the effect of the membrane-mimetic micelles on the
interplay between α-synuclein and Cu(II)/Cu(I) cations
A. B. Uceda, R. Ramis, K. Pauwels, M. Adrover, L. Marino, J. Frau, and B. Vilanova
J. Inorg. Biochem. 247, 112344 (2023). -
1178
Reflectance and fluorescence characteristics of PTFE coated with TPB atvisible, UV, and VUV as a function of thickness
J. Haefner, A. Fahs, J. Ho, C. Stanford, R. Guenette, C. Adams, H. Almazan, V. Alvarez, B. Aparicio, A. I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, K. Bailey, F. Ballester, J. M. Benlloch-Rodriguez, F. I. G. M. Borges, S. Bounasser, et al.
J. Instrum. 18, P03016 (2023). -
1179
A compact dication source for Ba2+ tagging and heavy metal ion sensor development
K. E. Navarro, J. Baeza-Rubio, M. Boyd, F. W. Foss, S. Giri, B. J. P. Jones, R. L. Miller, D. R. Nygren, F. J. Samaniego, K. Stogsdill, M. R. Tiscareno, C. Adams, H. Almazan, V. Alvarez, B. Aparicio, A. I. Aranburu, L. Arazi, I. J. Arnquist, S. Ayet, C. D. R. Azevedo, et al.
J. Instrum. 18, P07044 (2023). -
1180
NEXT-CRAB-0: a high pressure gaseous xenon time projection chamber witha direct VUV camera based readout
N. K. Byrnes, I. Parmaksiz, C. Adams, J. Asaadi, J. Baeza-Rubio, K. Bailey, E. Church, D. Gonzalez-Diaz, A. Higley, B. J. P. Jones, K. Mistry, I. A. Moya, D. R. Nygren, P. Oyedele, L. Rogers, K. Stogsdill, H. Almazan, V. Alvarez, B. Aparicio, A. I. Aranburu, et al.
J. Instrum. 18, P08006 (2023).