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7294 results: 7234 articles and 60 books or book chapters

1. 3001 Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn-Sham Density Functional Theory
   M. Martinez Gonzalez, F. G. D. Xavier, J. Li, L. A. Montero-Cabrera, J. M. Garcia de la Vega, and A. J. C. Varandas
   J. Phys. Chem. A 124, 126 (2020).
2. 3002 Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods
   G. Salvitti, F. Negri, A. J. Perez-Jimenez, E. San-Fabian, D. Casanova, and J. C. Sancho-Garcia
   J. Phys. Chem. A 124, 3590 (2020).
3. 3003 Nanoalloys of Metals Which Do Not Form Bulk Alloys: The Case of Ag-Co
   P. Marin, J. A. Alonso, E. German, and M. J. Lopez
   J. Phys. Chem. A 124, 6468 (2020).
4. 3004 Comparison of the Energy-Transfer Rates in Structural and Spectral Variants of the B800-850 Complex from Purple Bacteria
   A. L. Tong, O. C. Fiebig, M. Nairat, D. Harris, M. Giansily, A. Chenu, J. N. Sturgis, and G. S. Schlau-Cohen
   J. Phys. Chem. B 124, 1460 (2020).
5. 3005 Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape?
   S. Subramanian, H. Golla, K. Divakar, A. Kannan, D. de Sancho, and A. N. Naganathan
   J. Phys. Chem. B 124, 8973 (2020).
6. 3006 Field-mediated chirality information transfer in molecule-nanoparticle hybrids
   A. Garcia-Etxarri, J. M. Ugalde, J. Jose Saenz, and V. Mujica
   J. Phys. Chem. C 124, 1560 (2020).
7. 3007 Magnetism and Distortions in Two-Dimensional Transition-Metal Dioxides: On the Quest for Intrinsic Magnetic Semiconductor Layers
   F. Aguilera-Granja, and A. Ayuela
   J. Phys. Chem. C 124, 2634 (2020).
8. 3008 Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and pi-Stack Compression
   Y. Tsuji, K. Okazawa, B. Chen, and K. Yoshizawa
   J. Phys. Chem. C 124, 22941 (2020).
9. 3009 CO Chemisorption on Vicinal Rh(111) Surfaces Studied with a Curved Crystal
   F. Garcia-Martinez, F. Schiller, S. Blomberg, M. Shipilin, L. R. Merte, J. Gustafson, E. Lundgren, and J. Enrique Ortega
   J. Phys. Chem. C 124, 9305 (2020).
10. 3010 Synthesis of Graphene Nanoribbons on a Kinked Au Surface: Revealing the Frontier Valence Band at the Brillouin Zone Center
    A. El-Sayed, I. Piquero-Zulaica, Z. M. Abd El-Fattah, L. Kormos, K. Ali, A. Weber, J. Brede, D. G. de Oteyza, J. Lobo-Checa, J. Enrique Ortega, and M. Corso
    J. Phys. Chem. C 124, 15474 (2020).
11. 3011 Anisotropic PC6N Monolayer with Wide Band Gap and Ultrahigh Carrier Mobility
    C. Wang, T. Yu, A. Bergara, X. Du, F. Li, and G. Yang
    J. Phys. Chem. C 124, 4330 (2020).
12. 3012 Highly Ordered and Polycrystalline Graphene on Co(0001) Intercalated by Oxygen
    V. O. Shevelev, K. A. Bokai, A. A. Makarova, D. Marchenko, O. Y. Vilkov, V. Y. Mikhailovskii, D. V. Vyalikh, and D. Y. Usachov
    J. Phys. Chem. C 124, 17103 (2020).
13. 3013 Influence of the Chemical Structure on Molecular Light Emission in Strongly Localized Plasmonic Fields
    Y. Zhang, Z. -C. Dong, and J. Aizpurua
    J. Phys. Chem. C 124, 4674 (2020).
14. 3014 Surface Phase Nucleation of Lead Monoatomic Layers on Si(111) Induced by Manganese Phthalocyanine Molecules
    D. Longo, M. -L. Bocquet, N. Lorente, H. Cruguel, F. Debontridder, S. Royer, P. David, A. Palacio-Morales, T. Cren, N. Witkowski, and C. Brun
    J. Phys. Chem. C 124, 19829 (2020).
15. 3015 Energy-Based Plasmonicity Index to Characterize Optical Resonances in Nanostructures
    M. M. Mueller, M. Kosik, M. Pelc, G. W. Bryant, A. Ayuela, C. Rockstuhl, and K. Slowik
    J. Phys. Chem. C 124, 24331 (2020).
16. 3016 Increase of Polymerization Yield on Titania by Surface Reduction
    M. Abadia, G. Vasseur, M. Kolmer, L. Zajac, A. Verdini, J. Enrique Ortega, L. Floreano, C. Rogero, and J. Brede
    J. Phys. Chem. C 124, 16918 (2020).
17. 3017 Directionality in van der Waals Interactions: The Case of 4-Acetylbiphenyl Adsorbed on Au(111)
    V. Zobac, R. Robles, and N. Lorente
    J. Phys. Chem. C 124, 4545 (2020).
18. 3018 Ultrafast Laser-Induced Isomerization Dynamics in Acetonitrile
    M. McDonnell, A. C. LaForge, J. Reino-Gonzalez, M. Disla, N. G. Kling, D. Mishra, R. Obaid, M. Sundberg, V. Svoboda, S. Diaz-Tendero, F. Martin, and N. Berrah
    J. Phys. Chem. Lett. 11, 6724 (2020).
19. 3019 Electronic Structures and Surface Reconstructions in Magnetic Superconductor RbEuFe4As4
    V. S. Stolyarov, K. S. Pervakov, A. S. Astrakhantseva, I. A. Golovchanskiy, D. V. Vyalikh, T. K. Kim, V. Eremeev, V. A. Vlasenko, V. M. Pudalov, A. A. Golubov, V. Chulkov, and D. Roditchev
    J. Phys. Chem. Lett. 11, 9393 (2020).
20. 3020 On-Surface Synthesis of Chlorinated Narrow Graphene Nanoribbon Organometallic Hybrids
    R. Zuzak, P. Brandimarte, P. Olszowski, I. Izydorczyk, M. Markoulides, B. Such, M. Kolmer, M. Szymonski, A. Garcia-Lekue, D. Sanchez-Portal, A. Gourdon, and S. Godlewski
    J. Phys. Chem. Lett. 11, 10290 (2020).