Search publications

Search results

7294 results: 7234 articles and 60 books or book chapters

1. 1601 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).
2. 1602 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).
3. 1603 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).
4. 1604 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).
5. 1605 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).
6. 1606 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).
7. 1607 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).
8. 1608 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).
9. 1609 Multimerizations, aggregation, and transfer reactions of small numbers of molecules
   R. Zangi
   J. Chem Inf. Model. 63, 4383 (2023).
10. 1610 Molecular Berry curvatures and the adiabatic response tensors
    R. Resta
    J. Chem. Phys. 158, 024105 (2023).
11. 1611 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).
12. 1612 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).
13. 1613 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).
14. 1614 Physical aging in molecular glasses beyond the α relaxation
    V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
    J. Chem. Phys. 159, 064505 (2023).
15. 1615 Orbital-free density-functional theory for metal slabs
    C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
    J. Chem. Phys. 159, 164112 (2023).
16. 1616 What can lattice DFT teach us about real-space DFT?
    N. Sobrino, D. Jacob, and S. Kurth
    J. Chem. Phys. 159, 154110 (2023).
17. 1617 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).
18. 1618 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).
19. 1619 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).
20. 1620 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).