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6838 results: 6800 articles and 38 books or book chapters

1. 4161 Angular distributions and rovibrational excitation of N-2 molecules recombined on N-covered Ag(111) by the Eley-Rideal mechanis
   J. I. Juaristi, E. Diaz, G. A. Bocan, R. D. Muino, M. Alducin, and M. Blanco-Rey
   Catal. Today 244, 115 (2015).
2. 4162 Gold finger formation studied by high-resolution mass spectrometry and in silico methods
   U. A. Laskay, C. Garino, Y. O. Tsybin, L. Salassa, and A. Casini
   Chem. Commun. 51, 1612 (2015).
3. 4163 Is it possible to achieve a complete desaturation of cycloalkanes promoted by o-benzyne?
   F. Cervantes-Navarro, A. de Cozar, F. P. Cossio, M. A. Fernandez-Herrera, G. Merino, and I. Fernandez
   Chem. Commun. 51, 5302 (2015).
4. 4164 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).
5. 4165 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).
6. 4166 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).
7. 4167 The diatomic dication SiC2+ in the gas phase
   R. Pis Diez, and J. A. Alonso
   Chem. Phys. 455, 41 (2015).
8. 4168 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).
9. 4169 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).
10. 4170 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).
11. 4171 The boron-boron triple bond in NHC -> B equivalent to B <- NHC
    N. Holzmann, M. Hermann, and G. Frenking
    Chem. Sci. 6, 4089 (2015).
12. 4172 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).
13. 4173 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).
14. 4174 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).
15. 4175 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).
16. 4176 Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
    T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
    ChemPhysChem 16, 3700 (2015).
17. 4177 pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
    S. J. Grabowski
    ChemPhysChem 16, 1470 (2015).
18. 4178 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).
19. 4179 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).
20. 4180 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).