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7344 results: 7284 articles and 60 books or book chapters

1. 1661 Non-simple flow behavior in a polar van der Waals liquid: Structural relaxation under scrutiny
   S. Arrese-Igor, A. Alegria, and J. Colmenero
   J. Chem. Phys. 158, 174504 (2023).
2. 1662 The Debye's model for the dielectric relaxation of liquid water and the role of cross-dipolar correlations. A MD-simulations study
   F. Alvarez, A. Arbe, and J. Colmenero
   J. Chem. Phys. 159, 134505 (2023).
3. 1663 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).
4. 1664 Physical aging in molecular glasses beyond the α relaxation
   V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
   J. Chem. Phys. 159, 064505 (2023).
5. 1665 Orbital-free density-functional theory for metal slabs
   C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
   J. Chem. Phys. 159, 164112 (2023).
6. 1666 What can lattice DFT teach us about real-space DFT?
   N. Sobrino, D. Jacob, and S. Kurth
   J. Chem. Phys. 159, 154110 (2023).
7. 1667 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).
8. 1668 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).
9. 1669 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).
10. 1670 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).
11. 1671 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).
12. 1672 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).
13. 1673 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).
14. 1674 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).
15. 1675 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).
16. 1676 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).
17. 1677 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).
18. 1678 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).
19. 1679 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).
20. 1680 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).