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7230 results: 7170 articles and 60 books or book chapters

1. 4561 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).
2. 4562 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).
3. 4563 The boron-boron triple bond in NHC -> B equivalent to B <- NHC
   N. Holzmann, M. Hermann, and G. Frenking
   Chem. Sci. 6, 4089 (2015).
4. 4564 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).
5. 4565 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).
6. 4566 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).
7. 4567 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).
8. 4568 Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
   T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
   ChemPhysChem 16, 3700 (2015).
9. 4569 pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
   S. J. Grabowski
   ChemPhysChem 16, 1470 (2015).
10. 4570 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).
11. 4571 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).
12. 4572 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).
13. 4573 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).
14. 4574 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).
15. 4575 Mesoscopic Josephson junctions with switchable current-phase relation
    E. Strambini, F. S. Bergeret, and F. Giazotto
    EPL 112, 17013 (2015).
16. 4576 Theory of diffusive phi(0) Josephson junctions in the presence of spin-orbit coupling
    F. S. Bergeret, and I. V. Tokatly
    EPL 110, 57005 (2015).
17. 4577 Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation
    J. M. Azpiroz, E. Mosconi, J. Bisquert, and F. De Angelis
    Energy Environ. Sci. 8, 2118 (2015).
18. 4578 Remote Substituent Effects on the Stereoselectivity and Organocatalytic Activity of Densely Substituted Unnatural Proline Esters in Aldol Reactions
    M. de Gracia Retamosa, A. de Cozar, M. Sanchez, J. I. Miranda, J. M. Sansano, L. M. Castello, C. Najera, A. I. Jimenez, F. J. Sayago, C. Cativiela, and F. P. Cossio
    Eur. J. Org. Chem. 2015, 2503 (2015).
19. 4579 Synthesis of Chromen[4,3-b]pyrrolidines by Intramolecular 1,3-Dipolar Cycloadditions of Azomethine Ylides: An Experimental and Computational Assessment of the Origin of Stereocontrol
    P. R. R. Costa, J. M. Sansano, U. Cossio, J. C. F. Barcellos, A. G. Dias, C. Najera, A. Arrieta, A. de Cozar, and F. P. Cossio
    Eur. J. Org. Chem. 2015, 4689 (2015).
20. 4580 Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
    A. Castro, A. Rubio, and E. K. U. Gross
    Eur. Phys. J. B 88, 191 (2015).