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6610 results: 6570 articles and 40 books or book chapters
Last updated: May 14, 2025-
381 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). -
382 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). -
383 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). -
384 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). -
385 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). -
386 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). -
387 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). -
388 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). -
389 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
A. Rao, A. S. Iglesias, and M. Grzelczak
J. Am. Chem. Soc. 146, 18236 (2024). -
390 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). -
391 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). -
392 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). -
393 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). -
394 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). -
395 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). -
396 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). -
397 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). -
398 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). -
399 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). -
400 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).