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6915 results: 6877 articles and 38 books or book chapters

1. 1241 Outstanding improvement in removing the delocalization error by global natural orbital functional
   J. F. H. Lew-Yee, M. Piris, and J. M. del Campo
   J. Chem. Phys. 158, 084110 (2023).
2. 1242 Physical aging in molecular glasses beyond the α relaxation
   V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
   J. Chem. Phys. 159, 064505 (2023).
3. 1243 Orbital-free density-functional theory for metal slabs
   C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
   J. Chem. Phys. 159, 164112 (2023).
4. 1244 What can lattice DFT teach us about real-space DFT?
   N. Sobrino, D. Jacob, and S. Kurth
   J. Chem. Phys. 159, 154110 (2023).
5. 1245 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).
6. 1246 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).
7. 1247 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).
8. 1248 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).
9. 1249 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).
10. 1250 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).
11. 1251 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).
12. 1252 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).
13. 1253 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).
14. 1254 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).
15. 1255 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).
16. 1256 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).
17. 1257 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).
18. 1258 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).
19. 1259 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).
20. 1260 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).