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6946 results: 6907 articles and 39 books or book chapters

1. 1261 Accurate and efficient spin-phonon coupling and spin dynamics calculations for molecular solids
   R. Nabi, J. K. Staab, A. Mattioni, J. G. C. Kragskow, D. Reta, J. M. Skelton, and N. F. Chilton
   J. Am. Chem. Soc. 145, 24558 (2023).
2. 1262 Molecular bridge engineering for tuning quantum electronic transport and anisotropy in nanoporous graphene
   C. Moreno, X. D. de Cerio, M. Vilas-Varela, M. Tenorio, A. Sarasola, M. Brandbyge, D. Pena, A. Garcia-Lekue, and A. Mugarza
   J. Am. Chem. Soc. 145, 8988 (2023).
3. 1263 Tuning the diradical character of pentacene derivatives via non-benzenoid coupling motifs
   T. Wang, P. Angulo-Portugal, A. Berdonces-Layunta, A. Jancarik, A. Gourdon, J. Holec, M. Kumar, D. Soler, P. Jelinek, D. Casanova, M. Corso, D. G. de Oteyza, and J. P. Calupitan
   J. Am. Chem. Soc. 145, 10333 (2023).
4. 1264 Interplay between magnetism and topology: large topological Hall effect in an antiferromagnetic topological insulator, EuCuAs
   S. Roychowdhury, K. Samanta, P. Yanda, B. Malaman, M. Yao, W. Schnelle, E. Guilmeau, P. Constantinou, S. Chandra, H. Borrmann, M. G. G. Vergniory, V. Strocov, C. Shekhar, and C. Felser
   J. Am. Chem. Soc. 145, 12920 (2023).
5. 1265 Experimental observation of diffractive retroreflection from a dielectric metasurface
   A. S. Kupriianov, V. V. Khardikov, K. Domina, S. L. Prosvirnin, W. Han, and V. R. Tuz
   J. Appl. Phys. 133, 163101 (2023).
6. 1266 Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel
   R. Ramis, O. R. Ballesteros, A. Muguruza-Montero, S. M-Alicante, E. Nunez, A. Villarroel, A. Leonardo, and A. Bergara
   J. Biol. Chem. 299, 102850 (2023).
7. 1267 Therapeutic effect of α7 nicotinic receptor activation after ischemic stroke in rats
   L. Aguado, A. Joya, M. Garbizu, S. Plaza-Garcia, L. Iglesias, M. I. Hernandez, M. Ardaya, N. Mocha, V. Gomez-Vallejo, U. Cossio, M. Higuchi, A. Rodriguez-Antiguedad, M. M. Freijo, M. Domercq, C. Matute, P. Ramos-Cabrer, J. Llop, and A. Martin
   J. Cereb. Blood Flow Metab. 43, 1301 (2023).
8. 1268 Multimerizations, aggregation, and transfer reactions of small numbers of molecules
   R. Zangi
   J. Chem Inf. Model. 63, 4383 (2023).
9. 1269 Molecular Berry curvatures and the adiabatic response tensors
   R. Resta
   J. Chem. Phys. 158, 024105 (2023).
10. 1270 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).
11. 1271 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).
12. 1272 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).
13. 1273 Physical aging in molecular glasses beyond the α relaxation
    V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
    J. Chem. Phys. 159, 064505 (2023).
14. 1274 Orbital-free density-functional theory for metal slabs
    C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
    J. Chem. Phys. 159, 164112 (2023).
15. 1275 What can lattice DFT teach us about real-space DFT?
    N. Sobrino, D. Jacob, and S. Kurth
    J. Chem. Phys. 159, 154110 (2023).
16. 1276 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).
17. 1277 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).
18. 1278 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).
19. 1279 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).
20. 1280 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).