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6763 results: 6725 articles and 38 books or book chapters

1. 4101 Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
   T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
   ChemPhysChem 16, 3700 (2015).
2. 4102 pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
   S. J. Grabowski
   ChemPhysChem 16, 1470 (2015).
3. 4103 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).
4. 4104 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).
5. 4105 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).
6. 4106 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).
7. 4107 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).
8. 4108 Mesoscopic Josephson junctions with switchable current-phase relation
   E. Strambini, F. S. Bergeret, and F. Giazotto
   EPL 112, 17013 (2015).
9. 4109 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).
10. 4110 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).
11. 4111 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).
12. 4112 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).
13. 4113 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).
14. 4114 Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries
    U. De Giovannini, A. Hjorth Larsen, and A. Rubio
    Eur. Phys. J. B 88, 56 (2015).
15. 4115 Zwitterionic ring-opening polymerization for the facile, efficient and versatile grafting of functional polyethers onto graphene sheets
    I. Asenjo-Sanz, J. I. Santos, A. M. Bittner, J. A. Pomposo, and F. Barroso-Bujans
    Eur. Polym. J. 73, 413 (2015).
16. 4116 A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations
    R. Esteban, A. Zugarramurdi, P. Zhang, P. Nordlander, F. J. Garcia-Vidal, A. G. Borisov, and J. Aizpurua
    Faraday Discuss. 178, 151 (2015).
17. 4117 Theoretical Investigations of the Perylene Electronic Structure: Monomer, Dimers, and Excimers
    D. Casanova
    Int. J. Quantum Chem. 115, 442 (2015).
18. 4118 Structural, Magnetic, and Vibrational Properties of Stoichiometric Clusters of CrN
    F. Aguilera-Granja, J. Carrete, A. Vega, and L. J. Gallego
    Int. J. Quantum Chem. 115, 523 (2015).
19. 4119 An integral representation for the product of two parabolic cylinder functions having unrelated arguments
    M. L. Glasser
    Integral Transform. Spec. Funct. 26, 825 (2015).
20. 4120 Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E-2(n-) Oxidation Levels with n=2, 3, or 4
    S. A. Yao, V. Martin-Diaconescu, I. Infante, K. M. Lancaster, A. W. Goetz, S. DeBeer, and J. F. Berry
    J. Am. Chem. Soc. 137, 4993 (2015).