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6890 results: 6852 articles and 38 books or book chapters

1. 3661 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. 3662 Dative bonding in main group compounds
   L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
   Coord. Chem. Rev. 344, 163 (2017).
3. 3663 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. 3664 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. 3665 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. 3666 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. 3667 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. 3668 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. 3669 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. 3670 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. 3671 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. 3672 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. 3673 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. 3674 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. 3675 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. 3676 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. 3677 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. 3678 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. 3679 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. 3680 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).