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6976 results: 6933 articles and 43 books or book chapters
Last updated: 11/02/2026-
1301
What can lattice DFT teach us about real-space DFT?
N. Sobrino, D. Jacob, and S. Kurth
J. Chem. Phys. 159, 154110 (2023). -
1302
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). -
1303
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). -
1304
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). -
1305
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). -
1306
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). -
1307
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). -
1308
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). -
1309
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). -
1310
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). -
1311
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). -
1312
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). -
1313
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). -
1314
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). -
1315
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). -
1316
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). -
1317
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). -
1318
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). -
1319
Cobalt-doped zinc glycolate as a precursor for the production of Zn1-xCoxO oxide with nanostructured octahedralparticles: synthesis, crystal structure, thermal, spectral, and opticalproperties
V. N. Krasil'nikov, A. P. Tyutyunnik, I. V. Baklanova, O. I. Gyrdasova, V. P. Zhukov, and E. V. Chulkov
J. Korean Ceram. Soc. 60, 990 (2023). -
1320
Triplet conformation in chromophore-fused cyclooctatetraene dyes
S. Paul, H. Kitakado, K. Suga, R. Kotani, N. Dey, R. Venkatramani, E. Matito, S. Saito, and J. Dasgupta
J. Mater. Chem. C 11, 12243 (2023).