Argitalpen bilaketa

Bilaketaren emaitzak

6210 results: 6170 articles and 40 books or book chapters

1. 101 Quantum-centric supercomputing for materials science: a perspective on challenges and future directions
   Y. Alexeev, M. Amsler, M. A. Barroca, S. Bassini, T. Battelle, D. Camps, D. Casanova, Y. J. Choi, F. T. Chong, C. Chung, C. Codella, A. D. Corcoles, J. Cruise, A. Di Meglio, I. Duran, T. Eckl, S. Economou, S. Eidenbenz, B. Elmegreen, C. Fare, et al.
   Futur. Gener. Comp. Syst. 160, 666 (2024).
2. 102 Alloxazine-based ligands and their ruthenium complexes as NADH oxidation catalysts and G4 binders
   M. J. M. Plata, L. Marretta, L. Gaztelumendi, G. E. Pieslinger, R. R. Carballo, E. Rezabal, G. Barone, V. Martinez-Martinez, A. Terenzi, and L. Salassa
   Inorg. Chem. 63, 16362 (2024).
3. 103 InnTl4-nH+ (n=0∼4): tetracoordinate hydrogen in a planar fashion?
   L. -juan Cui, X. -bo Liu, H. -yu Zhang, B. Yan, M. Orozco-Ic, S. Pan, and Z. -hua Cui
   Inorg. Chem. 63, 13938 (2024).
4. 104 KMg4Bi3: a narrow band gap semiconductor with a channel structure
   A. M. Ochs, D. -G. Oprea, J. Cardenas-Gamboa, C. E. Moore, J. P. Heremans, C. Felser, M. G. Vergniory, and J. E. Goldberger
   Inorg. Chem. , (2024).
5. 105 Understanding pressure effects on structural, optical, and magnetic properties of CsMnF4 and other 3dn compounds
   G. Santamaria, T. Fernandez-Ruiz, J. M. Garcia-Lastra, P. Garcia-Fernandez, I. Sanchez-Movellan, M. Moreno, and J. Antonio Aramburu
   Inorg. Chem. 63, 13231 (2024).
6. 106 Crystal structure and anti-proliferative and mutagenic evaluation of the palladium(II) complex of deoxyalliin
   T. Z. Candido, M. M. Quintanilha, B. A. Schimitd, D. de A. Simoni, D. H. Nakahata, R. E. F. de Paiva, I. H. Cerqueira, F. A. Resende, J. E. Carvalho, A. L. T. G. Ruiz, C. S. P. Lima, and P. P. Corbi
   Inorganics 12, 194 (2024).
7. 107 Automatic mapping of aquaculture activity in the Atlantic Ocean
   X. Lekunberri, J. D. Ballester-Berman, I. Arganda-Carreras, and J. A. Fernandes-Salvador
   Int. J. Appl. Earth Obs. Geoinf. 132, 104061 (2024).
8. 108 Probing the cellular fate of the protein corona around nanoparticles with nanofocused X-ray fluorescence imaging
   M. Skiba, G. Guedes, D. Karpov, N. Feliu, A. L. Cortajarena, W. J. Parak, and C. Sanchez-Cano
   Int. J. Mol. Sci. 25, 528 (2024).
9. 109 MLe-KCNQ2: an artificial intelligence model for the prognosis of missense KCNQ2 gene variants
   A. Saez-Matia, M. G. Ibarluzea, S. M-Alicante, A. Muguruza-Montero, E. Nunez, R. Ramis, O. R. Ballesteros, D. Lasa-Goicuria, C. Fons, M. Gallego, O. Casis, A. Leonardo, A. Bergara, and A. Villarroel
   Int. J. Mol. Sci. 25, 2910 (2024).
10. 110 Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab-initio methods
    L. Soriano-Agueda
    Int. J. Quantum Chem. 124, e27352 (2024).
11. 111 Prediction of long-term creep modulus of thermoplastics using brief tests and interpretable machine learning
    H. Lobato, C. Cernuda, K. Zulueta, A. Arriaga, J. M. Matxain, and A. Burgoa
    Int. J. Solids Struct. 304, 113014 (2024).
12. 112 Chemical bonding induces one-dimensional physics in bulk crystal BiIr4Se8
    C. J. Pollak, G. Skorupskii, M. Gutierrez-Amigo, R. Singha, J. W. Stiles, F. Kamm, F. Pielnhofer, N. P. Ong, I. Errea, M. G. Vergniory, and L. M. Schoop
    J. Am. Chem. Soc. 146, 6784 (2024).
13. 113 Artificial photosynthases: single-chain nanoparticles with manifold visible-light photocatalytic activity for challenging "in water'' organic reactions
    D. Arena, E. Verde-Sesto, I. Rivilla, and J. A. Pomposo
    J. Am. Chem. Soc. 146, 14397 (2024).
14. 114 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
    A. Rao, A. S. Iglesias, and M. Grzelczak
    J. Am. Chem. Soc. 146, 18236 (2024).
15. 115 Electromagnetic estimation of mechanical stress in steel elements by using magnetic induction
    M. A. Garcia, J. Vinolas, M. S. G. Alonso, and A. Hernando
    J. Appl. Phys. 135, 245101 (2024).
16. 116 Influence of atomistic features in plasmon-exciton coupling and charge transfer driven by a single molecule in a metallic nanocavity
    B. Candelas, N. Zabala, P. Koval, A. Babaze, D. Sanchez-Portal, and J. Aizpurua
    J. Chem. Phys. 161, 044707 (2024).
17. 117 Activation volume and quantum tunneling in the hydrogen transferreaction between methyl radical and methane: a first computational study
    R. Cammi, and B. Chen
    J. Chem. Phys. 160, 104103 (2024).
18. 118 Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
    L. Franco, I. A. Bonfil-Rivera, J. F. H. Lew-Yee, M. Piris, J. M. del Campo, and R. A. Vargas-Hernandez
    J. Chem. Phys. 160, 244107 (2024).
19. 119 Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states
    D. Liu, B. Wang, A. S. Vasenko, and O. V. Prezhdo
    J. Chem. Phys. 161, 064104 (2024).
20. 120 Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state
    A. Scognamiglio, K. S. Thalmann, S. Hartweg, N. Rendler, L. Bruder, P. B. Coto, M. Thoss, and F. Stienkemeier
    J. Chem. Phys. 161, 024302 (2024).