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6643 results: 6603 articles and 40 books or book chapters

1. 961 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).
2. 962 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).
3. 963 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).
4. 964 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).
5. 965 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).
6. 966 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).
7. 967 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).
8. 968 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).
9. 969 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).
10. 970 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).
11. 971 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).
12. 972 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).
13. 973 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).
14. 974 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).
15. 975 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).
16. 976 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).
17. 977 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).
18. 978 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).
19. 979 Sudden excitations of harmonic normal modes
    I. Aldazabal, and I. Nagy
    J. Math. Chem. 61, 288 (2023).
20. 980 Choline chloride-water mixtures as new generation of green solvents: A comprehensive physico-chemical study
    E. Mangiacapre, F. Castiglione, M. D'Aristotile, V. Di Lisio, A. Triolo, and O. Russina
    J. Mol. Liq. 383, 122120 (2023).