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6749 results: 6711 articles and 38 books or book chapters

1. 541 Choreographing oscillatory hydrodynamics with DNA-coated gold nanoparticles
   A. Rao, A. S. Iglesias, and M. Grzelczak
   J. Am. Chem. Soc. 146, 18236 (2024).
2. 542 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).
3. 543 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).
4. 544 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).
5. 545 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).
6. 546 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).
7. 547 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).
8. 548 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).
9. 549 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).
10. 550 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).
11. 551 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).
12. 552 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).
13. 553 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).
14. 554 Assessing the global natural orbital functional approximation on model systems with strong correlation
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 160, 204106 (2024).
15. 555 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).
16. 556 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).
17. 557 Time evolution of natural orbitals in ab initio molecular dynamics
    A. Rivero Santamaria, and M. Piris
    J. Chem. Phys. 160, 071102 (2024).
18. 558 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).
19. 559 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).
20. 560 Physically motivated improvements of variational quantum eigensolvers
    N. Vaquero-Sabater, A. Carreras, R. Orus, N. J. Mayhall, and D. Casanova
    J. Chem. Theory Comput. 20, 5133 (2024).