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7406 results: 7346 articles and 60 books or book chapters

1. 1181 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. 1182 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
   A. Rao, A. S. Iglesias, and M. Grzelczak
   J. Am. Chem. Soc. 146, 18236 (2024).
3. 1183 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. 1184 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. 1185 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. 1186 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. 1187 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. 1188 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. 1189 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. 1190 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. 1191 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. 1192 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. 1193 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. 1194 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. 1195 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. 1196 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. 1197 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. 1198 Time evolution of natural orbitals in ab initio molecular dynamics
    A. Rivero Santamaria, and M. Piris
    J. Chem. Phys. 160, 071102 (2024).
19. 1199 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. 1200 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).