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6579 results: 6539 articles and 40 books or book chapters

1. 3901 Synthesis of radiolabelled aryl azides from diazonium salts: experimental and computational results permit the identification of the preferred mechanism
   S. M. Joshi, A. de Cozar, V. Gomez-Vallejo, J. Koziorowski, J. Llop, and F. P. Cossio
   Chem. Commun. 51, 8954 (2015).
2. 3902 Tuning the Tensile Strength of Cellulose through Vapor-Phase Metalation
   K. E. Gregorczyk, D. F. Pickup, M. Garcia Sanz, I. Azpitarte Irakulis, C. Rogero, and M. Knez
   Chem. Mat. 27, 181 (2015).
3. 3903 Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water
   E. Mosconi, J. M. Azpiroz, and F. De Angelis
   Chem. Mat. 27, 4885 (2015).
4. 3904 The diatomic dication SiC2+ in the gas phase
   R. Pis Diez, and J. A. Alonso
   Chem. Phys. 455, 41 (2015).
5. 3905 Raman scattering signatures of the unusual vibronic interaction of molecules in liquid helium-3
   I. Tehver, G. Benedek, and V. Hizhnyakov
   Chem. Phys. 460, 111 (2015).
6. 3906 Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides
   A. Kovacs, R. J. M. Konings, J. K. Gibson, I. Infante, and L. Gagliardi
   Chem. Rev. 115, 1725 (2015).
7. 3907 Design of two-photon molecular tandem architectures for solar cells by ab initio theory
   K. B. Ornso, J. M. Garcia-Lastra, G. De La Torre, F. J. Himpsel, A. Rubio, and K. S. Thygesen
   Chem. Sci. 6, 3018 (2015).
8. 3908 The boron-boron triple bond in NHC -> B equivalent to B <- NHC
   N. Holzmann, M. Hermann, and G. Frenking
   Chem. Sci. 6, 4089 (2015).
9. 3909 Recent developments and future prospects of all-metal aromatic compounds
   J. M. Mercero, A. I. Boldyrev, G. Merino, and J. M. Ugalde
   Chem. Soc. Rev. 44, 6519 (2015).
10. 3910 Reaction Mechanism of the Symmetry-Forbidden [2+2] Addition of Ethylene and Acetylene to Amido-Substituted Digermynes and Distannynes Ph2N-EE-NPh2, (E=Ge, Sn): A Theoretical Study
    L. Zhao, C. Jones, and G. Frenking
    Chem.-Eur. J. 21, 12405 (2015).
11. 3911 The Electronic Structure of the Al-3(-) Anion: Is it Aromatic?
    J. M. Mercero, E. Matito, F. Ruiperez, I. Infante, X. Lopez, and J. M. Ugalde
    Chem.-Eur. J. 21, 9610 (2015).
12. 3912 Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study
    D. Tejedor, L. Cotos, D. Marquez-Arce, M. Odriozola-Gimeno, M. Torrent-Sucarrat, F. P. Cossio, and F. Garcia-Tellado
    Chem.-Eur. J. 21, 18280 (2015).
13. 3913 Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
    T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
    ChemPhysChem 16, 3700 (2015).
14. 3914 pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
    S. J. Grabowski
    ChemPhysChem 16, 1470 (2015).
15. 3915 Lewis acid-Lewis base interactions: From NFH3+center dot center dot center dot NCH and NF4+center dot center dot center dot NCH complexes to NFH3+center dot center dot center dot(NCH)(n) and NF4+center dot center dot center dot(NCH)(n) clusters
    S. J. Grabowski
    Comput. Theor. Chem. 1053, 289 (2015).
16. 3916 Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations
    A. A. M. H. M. Darghouth, M. E. Casida, W. Taouali, K. Alimi, M. P. Ljungberg, P. Koval, D. Sanchez-Portal, and D. Foerster
    Computation 3, 616 (2015).
17. 3917 Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture
    N. A. Romero, C. Glinsvad, A. H. Larsen, J. Enkovaara, S. Shende, V. A. Morozov, and J. J. Mortensen
    Concurr. Comput.-Pract. Exp. 27, 69 (2015).
18. 3918 Molecular simulation of oligo-glutamates in a calcium-rich aqueous solution: insights into peptide-induced polymorph selection
    J. Kahlen, C. Peter, and D. Donadio
    Crystengcomm 17, 6863 (2015).
19. 3919 Redox-active and DNA-binding coordination complexes of clotrimazole
    S. Betanzos-Lara, N. P. Chmel, M. T. Zimmerman, L. R. Barron-Sosa, C. Garino, L. Salassa, A. Rodger, J. L. Brumaghim, I. Gracia-Mora, and N. Barba-Behrens
    Dalton Trans. 44, 3673 (2015).
20. 3920 Mesoscopic Josephson junctions with switchable current-phase relation
    E. Strambini, F. S. Bergeret, and F. Giazotto
    EPL 112, 17013 (2015).