Buscador de publicaciones

Buscar resultados

6950 results: 6907 articles and 43 books or book chapters

1. 3721 Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA
   N. Papior, N. Lorente, T. Frederiksen, A. Garcia, and M. Brandbyge
   Comput. Phys. Commun. 212, 8 (2017).
2. 3722 Dative bonding in main group compounds
   L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
   Coord. Chem. Rev. 344, 163 (2017).
3. 3723 Lewis Acid Properties of Tetrel Tetrafluorides-The Coincidence of the sigma-Hole Concept with the QTAIM Approach
   S. J. Grabowski
   Crystals 7, 43 (2017).
4. 3724 Capsulate structure effect on SWNTs doping in RbxAg1-xI@SWNT composites
   N. S. Falaleev, A. S. Kumskov, V. G. Zhigalina, I. I. Verbitskiy, A. L. Vasiliev, A. A. Makarova, D. V. Vyalikh, N. A. Kiselev, and A. A. Eliseev
   Crystengcomm 19, 3063 (2017).
5. 3725 Carbene stabilized interconnected bis-germylene and its silicon analogue with small methyl substituents
   S. Kundu, P. P. Samuel, A. Luebben, D. M. Andrada, G. Frenking, B. Dittrich, and H. W. Roesky
   Dalton Trans. 46, 7947 (2017).
6. 3726 Normal-to-abnormal rearrangement of an N-heterocyclic carbene with a silylene transition metal complex
   R. S. Ghadwal, D. Rottschaefer, D. M. Andrada, G. Frenking, C. J. Schuermann, and H. -G. Stammler
   Dalton Trans. 46, 7791 (2017).
7. 3727 Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations
   D. Le, and T. S. Rahman
   Faraday Discuss. 204, 83 (2017).
8. 3728 Linking classical and molecular optomechanics descriptions of SERS
   M. K. Schmidt, R. Esteban, F. Benz, J. J. Baumberg, and J. Aizpurua
   Faraday Discuss. 205, 31 (2017).
9. 3729 Experimental and Theoretical Study of a Cadmium Coordination Polymer Based on Aminonicotinate with Second-Timescale Blue/Green Photoluminescent Emission
   J. M. Seco, A. Rodriguez-Dieguez, D. Padro, J. A. Garcia, J. M. Ugalde, E. S. Sebastian, and J. Cepeda
   Inorg. Chem. 56, 3149 (2017).
10. 3730 Electronic Structure and Magnetic Anisotropy in Lanthanoid Singleton Magnets with C-3 Symmetry: The Ln(trenovan) Series
    E. Lucaccini, J. J. Baldovi, L. Chelazzi, A. -L. Barra, F. Grepioni, J. -P. Costes, and L. Sorace
    Inorg. Chem. 56, 4728 (2017).
11. 3731 Synthesis, characterisation and dynamic behavior of photoactive bipyridyl ruthenium(II)-nicotinamide complexes
    N. A. Smith, P. Zhang, L. Salassa, A. Habtemariam, and P. J. Sadler
    Inorg. Chim. Acta 454, 240 (2017).
12. 3732 Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures
    H. Sener Sen, L. Xian, F. H. da Jornada, S. G. Louie, and A. Rubio
    Isr. J. Chem. 57, 540 (2017).
13. 3733 Competing rhombohedral and monoclinic crystal structures in MnPn(2)Ch(4) compounds: An ab-initio study
    S. V. Eremeev, M. M. Otrokov, and E. V. Chulkov
    J. Alloy. Compd. 709, 172 (2017).
14. 3734 Fluorenyl Based Macrocyclic Polyradicaloids
    X. Lu, S. Lee, Y. Hong, Hoa Phan , T. Y. Gopalakrishna, T. S. Herng, T. Tanaka, M. Eugenia Sandoval-Salinas, W. Zeng, J. Ding, D. Casanova, A. Osuka, D. Kim, and J. Wu
    J. Am. Chem. Soc. 139, 13173 (2017).
15. 3735 Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors
    S. Kundu, P. P. Samuel, S. Sinhababu, A. V. Luebben, B. Dittrich, D. M. Andrada, G. Frenking, A. C. Stueckl, B. Schwederski, A. Paretzki, W. Kaim, and H. W. Roesky
    J. Am. Chem. Soc. 139, 11028 (2017).
16. 3736 Donor Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into TiO2:pi-Stacking Supersedes Covalent Bonding
    R. Long, D. Casanova, W. -H. Fang, and O. V. Prezhdo
    J. Am. Chem. Soc. 139, 2619 (2017).
17. 3737 Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Amino Acids
    A. Sanchez-Sanchez, I. Rivilla, M. Agirre, A. Basterretxea, A. Etxeberria, A. Veloso, H. Sardon, D. Mecerreyes, and F. P. Cossio
    J. Am. Chem. Soc. 139, 4805 (2017).
18. 3738 Double crystallographic groups and their representations on the Bilbao Crystallographic Server
    L. Elcoro, B. Bradlyn, Z. Wang, M. G. Vergniory, J. Cano, C. Felser, B. A. Bernevig, D. Orobengoa, G. de la Flor, and M. I. Aroyo
    J. Appl. Crystallogr. 50, 1457 (2017).
19. 3739 Controlling plasmon modes and damping in buckled two-dimensional material open systems
    A. Iurov, G. Gumbs, D. Huang, and L. Zhemchuzhna
    J. Appl. Phys. 121, 084306 (2017).
20. 3740 Electron refraction at lateral atomic interfaces
    Z. M. Abd El-Fattah, M. A. Kher-Elden, O. Yassin, M. M. El-Okr, J. E. Ortega, and F. J. Garcia de Abajo
    J. Appl. Phys. 122, 195306 (2017).