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6742 results: 6704 articles and 38 books or book chapters

1. 4081 pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
   S. J. Grabowski
   ChemPhysChem 16, 1470 (2015).
2. 4082 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).
3. 4083 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).
4. 4084 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).
5. 4085 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).
6. 4086 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).
7. 4087 Mesoscopic Josephson junctions with switchable current-phase relation
   E. Strambini, F. S. Bergeret, and F. Giazotto
   EPL 112, 17013 (2015).
8. 4088 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).
9. 4089 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).
10. 4090 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).
11. 4091 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).
12. 4092 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).
13. 4093 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).
14. 4094 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).
15. 4095 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).
16. 4096 Theoretical Investigations of the Perylene Electronic Structure: Monomer, Dimers, and Excimers
    D. Casanova
    Int. J. Quantum Chem. 115, 442 (2015).
17. 4097 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).
18. 4098 An integral representation for the product of two parabolic cylinder functions having unrelated arguments
    M. L. Glasser
    Integral Transform. Spec. Funct. 26, 825 (2015).
19. 4099 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).
20. 4100 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).