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6819 results: 6781 articles and 38 books or book chapters

1. 4161 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).
2. 4162 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).
3. 4163 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).
4. 4164 Mesoscopic Josephson junctions with switchable current-phase relation
   E. Strambini, F. S. Bergeret, and F. Giazotto
   EPL 112, 17013 (2015).
5. 4165 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).
6. 4166 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).
7. 4167 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).
8. 4168 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).
9. 4169 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).
10. 4170 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).
11. 4171 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).
12. 4172 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).
13. 4173 Theoretical Investigations of the Perylene Electronic Structure: Monomer, Dimers, and Excimers
    D. Casanova
    Int. J. Quantum Chem. 115, 442 (2015).
14. 4174 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).
15. 4175 An integral representation for the product of two parabolic cylinder functions having unrelated arguments
    M. L. Glasser
    Integral Transform. Spec. Funct. 26, 825 (2015).
16. 4176 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).
17. 4177 Sulfur-Bridged Terthiophene Dimers: How Sulfur Oxidation State Controls Interchromophore Electronic Coupling
    C. D. Cruz, P. R. Christensen, E. L. Chronister, D. Casanova, M. O. Wolf, and C. J. Bardeen
    J. Am. Chem. Soc. 137, 12552 (2015).
18. 4178 ``Darker-than-Black'' PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands
    C. Giansante, I. Infante, E. Fabiano, R. Grisorio, G. P. Suranna, and G. Gigli
    J. Am. Chem. Soc. 137, 1875 (2015).
19. 4179 Tunable surface plasmon instability leading to emission of radiation
    G. Gumbs, A. Iurov, D. Huang, and W. Pan
    J. Appl. Phys. 118, 054303 (2015).
20. 4180 Fluorinated networks dynamics studied by means of broadband dielectric spectroscopy
    L. A. Miccio, J. Otegui, M. E. Penoff, P. E. Montemartini, and G. A. Schwartz
    J. Appl. Polym. Sci. 132, 42690 (2015).