Search publications

Search results

6323 results: 6283 articles and 40 books or book chapters

1. 621 Single-not double-3D-aromaticity in an oxidized closo icosahedral dodecaiodo-dodecaborate cluster
   J. Poater, S. Escayola, A. Poater, F. Teixidor, H. Ottosson, C. Vinas, and M. Sola
   J. Am. Chem. Soc. 145, 22527 (2023).
2. 622 V-Shaped troger oligothiophenes boost triplet formation by CT mediation and symmetry breaking
   S. M. Rivero, M. J. Alonso-Navarro, C. Tonnele, J. M. Marin-Beloqui, F. Suarez-Blas, T. M. Clarke, S. Kang, J. Oh, M. M. Ramos, D. Kim, D. Casanova, J. L. Segura, and J. Casado
   J. Am. Chem. Soc. 145, 27295 (2023).
3. 623 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).
4. 624 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).
5. 625 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).
6. 626 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).
7. 627 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).
8. 628 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).
9. 629 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).
10. 630 Multimerizations, aggregation, and transfer reactions of small numbers of molecules
    R. Zangi
    J. Chem Inf. Model. 63, 4383 (2023).
11. 631 Molecular Berry curvatures and the adiabatic response tensors
    R. Resta
    J. Chem. Phys. 158, 024105 (2023).
12. 632 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).
13. 633 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).
14. 634 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).
15. 635 Physical aging in molecular glasses beyond the α relaxation
    V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
    J. Chem. Phys. 159, 064505 (2023).
16. 636 Orbital-free density-functional theory for metal slabs
    C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
    J. Chem. Phys. 159, 164112 (2023).
17. 637 What can lattice DFT teach us about real-space DFT?
    N. Sobrino, D. Jacob, and S. Kurth
    J. Chem. Phys. 159, 154110 (2023).
18. 638 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).
19. 639 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).
20. 640 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).