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7149 results: 7106 articles and 43 books or book chapters

1. 2381 Perfect and Defective C-13-Furan-Derived Nanothreads from ModestPressure Synthesis Analyzed by C-13 NMR
   B. S. Matsuura, S. Huss, Z. Zheng, S. Yuan, T. Wang, B. Chen, V. Badding, D. Trauner, E. Elacqua, A. C. T. van Duin, V. H. Crespi, and K. Schmidt-Rohr
   J. Am. Chem. Soc. 143, 9529 (2021).
2. 2382 Chemical tuning of exciton versus charge-tansfer excited states in conformationally restricted arylene cages
   T. N. Lewis, C. Tonnele, W. G. Shuler, Z. A. Kasun, H. Sato, A. J. Berges, J. R. Rodriguez, M. J. Krische, D. Casanova, and C. J. Bardeen
   J. Am. Chem. Soc. 143, 18548 (2021).
3. 2383 Kinetics of NH3 Desorption and Diffusion on Pt: Implications for the Ostwald Process
   D. Borodin, I. Rahinov, O. Galparsoro, J. Fingerhut, M. Schwarzer, K. Golibrzuch, G. Skoulatakis, D. J. Auerbach, A. Kandratsenka, D. Schwarzer, T. N. Kitsopoulos, and A. M. Wodtke
   J. Am. Chem. Soc. 143, 18305 (2021).
4. 2384 Single-cell chemistry of photoactivatable platinum anticancer complexes
   E. M. Bolitho, C. Sanchez-Cano, H. Shi, P. D. Quinn, M. Harkiolaki, C. Imberti, and P. J. Sadler
   J. Am. Chem. Soc. 143, 20224 (2021).
5. 2385 Quantum anharmonic enhancement of superconductivity in P6(3)/mmc ScH6 at high pressures: A first-principles study
   P. Hou, F. Belli, R. Bianco, and I. Errea
   J. Appl. Phys. 130, 175902 (2021).
6. 2386 Magnetic detection of high mechanical stress in iron-based materials using eddy currents and phase shift measurements
   M. S. Garcia Alonso, A. Hernando, J. Vinolas, and M. A. Garcia
   J. Appl. Phys. 129, 243901 (2021).
7. 2387 From single-particle-like to interaction-mediated plasmonic resonances in graphene nanoantennas
   M. M. Mueller, M. Kosik, M. Pelc, G. W. Bryant, A. Ayuela, C. Rockstuhl, and K. Slowik
   J. Appl. Phys. 129, 093103 (2021).
8. 2388 A novel vibrational spectroscopy using spintronic-plasmonic antennas: Magneto-refractive surface-enhanced infrared absorption
   G. Armelles, L. Bergamini, A. Cebollada, N. Zabala, and J. Aizpurua
   J. Appl. Phys. 129, 073103 (2021).
9. 2389 Resolution of the identity approximation applied to PNOF correlation calculations
   J. F. Huan Lew-Yee, M. Piris, and J. M. del Campo
   J. Chem. Phys. 154, 064102 (2021).
10. 2390 Unraveling the coherent dynamic structure factor of liquid water at the mesoscale by molecular dynamics simulations
    F. Alvarez, A. Arbe, and J. Colmenero
    J. Chem. Phys. 155, 244509 (2021).
11. 2391 Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems
    J. A. Rodriguez-Jimenez, A. Carreras, and D. Casanova
    J. Chem. Phys. 154, 124116 (2021).
12. 2392 From the dipole of a crystallite to the polarization of a crystal
    R. Resta
    J. Chem. Phys. 154, 050901 (2021).
13. 2393 Faraday law, oxidation numbers, and ionic conductivity: The role of topology
    R. Resta
    J. Chem. Phys. 155, 244503 (2021).
14. 2394 Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
    E. Epifanovsky, A. T. B. Gilbert, X. Feng, J. Lee, Y. Mao, N. Mardirossian, P. Pokhilko, A. F. White, M. P. Coons, A. L. Dempwolff, Z. Gan, D. Hait, P. R. Horn, L. D. Jacobson, I. Kaliman, J. Kussmann, A. W. Lange, K. U. Lao, D. S. Levine, J. Liu, et al.
    J. Chem. Phys. 155, 084801 (2021).
15. 2395 Markov state models from hierarchical density-based assignment
    I. Mitxelena, X. Lopez, and D. de Sancho
    J. Chem. Phys. 155, 054102 (2021).
16. 2396 Photoinduced desorption dynamics of CO from Pd(111): a neural network approach
    A. Serrano Jimenez, A. P. Sanchez Muzas, Y. Zhang, J. Ovcar, B. Jiang, I. Loncaric, J. Inaki Juaristi, and M. Alducin
    J. Chem. Theory Comput. 17, 4648 (2021).
17. 2397 Ultrafast Dynamics of Electronic Resonances in Molecules Adsorbed on Metal Surfaces: A Wave Packet Propagation Approach
    F. Aguilar-Galindo, A. G. Borisov, and S. Diaz-Tendero
    J. Chem. Theory Comput. 17, 639 (2021).
18. 2398 Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
    M. Rodriguez-Mayorga, I. Mitxelena, F. Bruneval, and M. Piris
    J. Chem. Theory Comput. 17, 7562 (2021).
19. 2399 Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies
    V. Postils, F. Ruiperez, and D. Casanova
    J. Chem. Theory Comput. 17, 5825 (2021).
20. 2400 J-PAS: forecasts for dark matter-dark energy elastic couplings
    D. Figueruelo, M. Aparicio Resco, F. A. Teppa Pannia, J. Beltran Jimenez, D. Bettoni, A. L. Maroto, L. R. Abramo, J. Alcaniz, N. Benitez, S. Bonoli, S. Carneiro, J. Cenarro, D. Cristobal-Hornillos, R. A. Dupke, A. Ederoclite, C. Lopez-Sanjuan, A. Marin-Franch, V. Marra, C. M. de Oliveira, M. Moles, et al.
    J. Cosmol. Astropart. Phys. , 022 (2021).