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6703 results: 6663 articles and 40 books or book chapters

1. 481 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).
2. 482 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
   A. Rao, A. S. Iglesias, and M. Grzelczak
   J. Am. Chem. Soc. 146, 18236 (2024).
3. 483 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).
4. 484 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).
5. 485 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).
6. 486 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).
7. 487 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).
8. 488 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).
9. 489 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).
10. 490 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).
11. 491 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).
12. 492 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).
13. 493 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).
14. 494 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).
15. 495 Assessing the global natural orbital functional approximation on model systems with strong correlation
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 160, 204106 (2024).
16. 496 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).
17. 497 Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
    L. A. Montero-Cabrera, A. L. Montero-Alejo, A. Aspuru-Guzik, J. M. G. de la Vega, M. Piris, L. A. Diaz-Fernandez, Y. Perez-Badell, A. Guerra-Barroso, J. E. Alfonso-Ramos, J. Rodriguez, M. E. Fuentes, and C. M. de Armas
    J. Chem. Phys. 160, 214108 (2024).
18. 498 Time evolution of natural orbitals in ab initio molecular dynamics
    A. Rivero Santamaria, and M. Piris
    J. Chem. Phys. 160, 071102 (2024).
19. 499 Electronic couplings for triplet-triplet annihilation upconversion in cystal rubrene
    A. Diaz-Andres, C. Tonnele, and D. Casanova
    J. Chem. Theory Comput. 20, 4288 (2024).
20. 500 Electron-spin relaxation in boron-doped graphene nanoribbons
    R. A. Boto, A. Cebreiro-Gallardo, R. E. Menchon, and D. Casanova
    J. Chem. Theory Comput. 20, 9906 (2024).