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6579 results: 6539 articles and 40 books or book chapters

1. 3341 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. 3342 Dative bonding in main group compounds
   L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
   Coord. Chem. Rev. 344, 163 (2017).
3. 3343 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. 3344 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. 3345 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. 3346 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. 3347 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. 3348 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. 3349 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. 3350 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. 3351 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. 3352 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. 3353 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. 3354 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. 3355 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. 3356 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. 3357 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. 3358 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. 3359 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. 3360 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).