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7230 results: 7170 articles and 60 books or book chapters

1. 4001 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. 4002 Dative bonding in main group compounds
   L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
   Coord. Chem. Rev. 344, 163 (2017).
3. 4003 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. 4004 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. 4005 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. 4006 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. 4007 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. 4008 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. 4009 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. 4010 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. 4011 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. 4012 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. 4013 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. 4014 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. 4015 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. 4016 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. 4017 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. 4018 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. 4019 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. 4020 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).