Buscador de publicaciones

Buscar resultados

6976 results: 6933 articles and 43 books or book chapters

1. 761 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).
2. 762 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).
3. 763 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).
4. 764 Ball milling and annealing effect in structural and magnetic properties of copper ferrite by ceramic synthesis
   M. A. Cobos, J. A. Jimenez, I. Llorente, P. de la Presa, and A. Hernando
   J. Alloy. Compd. 1006, 176206 (2024).
5. 765 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).
6. 766 Mixed stereochemistry macrocycle acts as a helix-stabilizing peptide N-cap
   F. Hink, J. Aduriz-Arrizabalaga, X. Lopez, H. Suga, D. De Sancho, and J. M. Rogers
   J. Am. Chem. Soc. 146, 24348 (2024).
7. 767 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).
8. 768 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
   A. Rao, A. S. Iglesias, and M. Grzelczak
   J. Am. Chem. Soc. 146, 18236 (2024).
9. 769 Thermal rates and high-temperature tunneling from surface reaction dynamics and first-principles
   F. Nitz, L. Zhang, N. Hertl, I. Rahinov, O. Galparsoro, A. Kandratsenka, T. N. Kitsopoulos, D. J. Auerbach, H. Guo, A. M. Wodtke, and D. Borodin
   J. Am. Chem. Soc. 146, 31538 (2024).
10. 770 Practical courses on advanced methods in macromolecular crystallization: 20 years of history and future perspectives
    P. Havlickova, J. A. Gavira, J. R. Mesters, A. Koutska, B. Kascakova, T. Prudnikova, R. Hilgenfeld, J. M. Garcia-Ruiz, P. Rezacova, and I. K. Smatanova
    J. Appl. Crystallogr. 57, 1609 (2024).
11. 771 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).
12. 772 High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4
    A. Reifs, A. Fernandez-Calvo, B. Alonso-Lerma, J. Schonfelder, D. Franco, M. Ortega-Munoz, S. Casares, C. Jimenez-Lopez, L. Saa, A. L. Cortajarena, D. De Sancho, E. San Sebastian, and R. Perez-Jimenez
    J. Biol. Chem. 300, 107133 (2024).
13. 773 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).
14. 774 Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: a first computational study
    R. Cammi, and B. Chen
    J. Chem. Phys. 160, 104103 (2024).
15. 775 The origin of broadband blue emission in zero-dimensional organic lead iodine perovskites: A first-principles study
    J. Tan, X. Jiang, D. Liu, A. O. Moghaddam, V. S. Stolyarov, S. Xiao, and A. S. Vasenko
    J. Chem. Phys. 161, 144307 (2024).
16. 776 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).
17. 777 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).
18. 778 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).
19. 779 APOST-3D: chemical concepts from wavefunction analysis
    P. Salvador, E. Ramos-Cordoba, M. Montilla, L. Pujal, and M. Gimferrer
    J. Chem. Phys. 160, 172502 (2024).
20. 780 Planar tetracoordinate beryllium in σ-aromatic Li4Be and Na4Be clusters: a missing member in first-octal row planar tetracoordinate family
    L. -hong Miao, L. -juan Cui, H. Zhang, M. Orozco-Ic, Y. -F. Yang, S. Pan, and Z. -huaCui
    J. Chem. Phys. 161, 244303 (2024).