Search publications

Search results

6847 results: 6809 articles and 38 books or book chapters

1. 4201 Theoretical Investigations of the Perylene Electronic Structure: Monomer, Dimers, and Excimers
   D. Casanova
   Int. J. Quantum Chem. 115, 442 (2015).
2. 4202 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).
3. 4203 An integral representation for the product of two parabolic cylinder functions having unrelated arguments
   M. L. Glasser
   Integral Transform. Spec. Funct. 26, 825 (2015).
4. 4204 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).
5. 4205 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).
6. 4206 ``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).
7. 4207 Tunable surface plasmon instability leading to emission of radiation
   G. Gumbs, A. Iurov, D. Huang, and W. Pan
   J. Appl. Phys. 118, 054303 (2015).
8. 4208 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).
9. 4209 Dynamics of tetrahydrofuran as minority component in a mixture with poly(2-(dimethylamino)ethyl methacrylate): A neutron scattering and dielectric spectroscopy investigation
   G. Goracci, A. Arbe, A. Alegria, W. Lohstroh, Y. Su, and J. Colmenero
   J. Chem. Phys. 143, 094505 (2015).
10. 4210 Vibrational dynamics and band structure of methyl-terminated Ge(111)
    Z. M. Hund, K. J. Nihill, D. Campi, K. T. Wong, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
    J. Chem. Phys. 143, 124705 (2015).
11. 4211 Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis
    A. V. Luzanov, D. Casanova, X. Feng, and A. I. Krylov
    J. Chem. Phys. 142, 224104 (2015).
12. 4212 H-4: A challenging system for natural orbital functional approximations
    E. Ramos-Cordoba, X. Lopez, M. Piris, and E. Matito
    J. Chem. Phys. 143, 164112 (2015).
13. 4213 Influence of the van der Waals interaction in the dissociation dynamics of N-2 on W(110) from first principles
    L. Martin-Gondre, J. I. Juaristi, M. Blanco-Rey, R. Diez Muino, and M. Alducin
    J. Chem. Phys. 142, 074704 (2015).
14. 4214 Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms
    J. Cioslowski, M. Piris, and E. Matito
    J. Chem. Phys. 143, 214101 (2015).
15. 4215 Dielectric relaxation of 2-ethyl-1-hexanol around the glass transition by thermally stimulated depolarization currents
    S. Arrese-Igor, A. Alegria, and J. Colmenero
    J. Chem. Phys. 142, 214504 (2015).
16. 4216 Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
    I. Theophilou, N. N. Lathiotakis, N. I. Gidopoulos, A. Rubio, and N. Helbig
    J. Chem. Phys. 143, 054106 (2015).
17. 4217 Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields
    M. Blanco-Rey, and J. C. Tremblay
    J. Chem. Phys. 142, 154704 (2015).
18. 4218 Bright Fission: Singlet Fission into a Pair of Emitting States
    D. Casanova
    J. Chem. Theory Comput. 11, 2642 (2015).
19. 4219 Quasiparticle Interfacial Level Alignment of Highly Hybridized Frontier Levels: H2O on TiO2(110)
    A. Migani, D. J. Mowbray, J. Zhao, and H. Petek
    J. Chem. Theory Comput. 11, 239 (2015).
20. 4220 Effect of addition of silica- and amine functionalized silica-nanoparticles on the microstructure of calcium silicate hydrate (C-S-H) gel
    M. Monasterio, J. J. Gaitero, E. Erkizia, A. M. Guerrero Bustos, L. A. Miccio, J. S. Dolado, and S. Cerveny
    J. Colloid Interface Sci. 450, 109 (2015).