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7230 results: 7170 articles and 60 books or book chapters

1. 1001 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).
2. 1002 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).
3. 1003 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).
4. 1004 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).
5. 1005 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).
6. 1006 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
   A. Rao, A. S. Iglesias, and M. Grzelczak
   J. Am. Chem. Soc. 146, 18236 (2024).
7. 1007 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).
8. 1008 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).
9. 1009 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).
10. 1010 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).
11. 1011 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).
12. 1012 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).
13. 1013 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).
14. 1014 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).
15. 1015 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).
16. 1016 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).
17. 1017 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).
18. 1018 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).
19. 1019 Assessing the global natural orbital functional approximation on model systems with strong correlation
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 160, 204106 (2024).
20. 1020 Intramolecular singlet fission: quantum dynamical simulations including the effect of the laser field
    S. R. Reddy, P. B. Coto, and M. Thoss
    J. Chem. Phys. 160, 194306 (2024).