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7294 results: 7234 articles and 60 books or book chapters

Last updated: 2026/08/03
  1. Scientific article 4061 Are Various sigma-Hole Bonds Steered by the Same Mechanisms?
    S. J. Grabowski, and W. A. Sokalski
    ChemPhysChem 18, 1569 (2017).
  2. Scientific article 4062 H+ Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations
    S. J. Grabowski, and F. Ruiperez
    ChemPhysChem 18, 2409 (2017).
  3. Scientific article 4063 Mono- and Di-Alkylation Processes of DNA Bases by Nitrogen Mustard Mechlorethamine
    O. Larranaga, A. de Cozar, and F. P. Cossio
    ChemPhysChem 18, 3390 (2017).
  4. Scientific article 4064 Aromaticity, the Huckel 4n+2 Rule and Magnetic Current
    L. Zhao, R. Grande-Aztatzi, C. Foroutan-Nejad, J. M. Ugalde, and G. Frenking
    ChemistrySelect 2, 863 (2017).
  5. Scientific article 4065 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).
  6. Scientific article 4066 Dative bonding in main group compounds
    L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
    Coord. Chem. Rev. 344, 163 (2017).
  7. Scientific article 4067 Lewis Acid Properties of Tetrel Tetrafluorides-The Coincidence of the sigma-Hole Concept with the QTAIM Approach
    S. J. Grabowski
    Crystals 7, 43 (2017).
  8. Scientific article 4068 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).
  9. Scientific article 4069 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).
  10. Scientific article 4070 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).
  11. Scientific article 4071 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).
  12. Scientific article 4072 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).
  13. Scientific article 4073 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).
  14. Scientific article 4074 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).
  15. Scientific article 4075 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).
  16. Scientific article 4076 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).
  17. Scientific article 4077 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).
  18. Scientific article 4078 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).
  19. Scientific article 4079 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).
  20. Scientific article 4080 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).
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