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6834 results: 6796 articles and 38 books or book chapters
Last updated: 05/11/2025-
2541
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). -
2542
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). -
2543
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). -
2544
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). -
2545
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). -
2546
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). -
2547
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). -
2548
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). -
2549
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). -
2550
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). -
2551
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). -
2552
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). -
2553
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). -
2554
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). -
2555
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). -
2556
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). -
2557
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). -
2558
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). -
2559
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). -
2560
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).