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6643 results: 6603 articles and 40 books or book chapters

1. 3701 Pi Band Dispersion along Conjugated Organic Nanowires Synthesized on a Metal Oxide Semiconductor
   G. Vasseur, M. Abadia, L. A. Miccio, J. Brede, A. Garcia-Lekue, D. G. de Oteyza, C. Rogero, J. Lobo-Checa, and J. E. Ortega
   J. Am. Chem. Soc. 138, 5685 (2016).
2. 3702 Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
   E. Torun, H. Sahin, S. Cahangirov, A. Rubio, and F. M. Peeters
   J. Appl. Phys. 119, 074307 (2016).
3. 3703 Electron-phonon relaxation and excited electron distribution in gallium nitride
   V. P. Zhukov, V. G. Tyuterev, E. V. Chulkov, and P. M. Echenique
   J. Appl. Phys. 120, 085708 (2016).
4. 3704 Modeling surface motion effects in N-2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model
   F. Nattino, O. Galparsoro, F. Costanzo, R. Diez Muino, M. Alducin, and G. -J. Kroes
   J. Chem. Phys. 144, 244708 (2016).
5. 3705 Molecular electric moments calculated by using natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 144, 204108 (2016).
6. 3706 Probing the electronic structure and Au-C chemical bonding in AuCn- and AuCnH- (n=2, 4, and 6) using high-resolution photoelectron spectroscopy
   I. Leon, F. Ruiperez, J. M. Ugalde, and L. -S. Wang
   J. Chem. Phys. 145, 064304 (2016).
7. 3707 Structure and component dynamics in binary mixtures of poly(2-(dimethylamino)ethyl methacrylate) with water and tetrahydrofuran: A diffraction, calorimetric, and dielectric spectroscopy study
   G. Goracci, A. Arbe, A. Alegria, Y. Su, U. Gasser, and J. Colmenero
   J. Chem. Phys. 144, 154903 (2016).
8. 3708 New structural and electronic properties of (TiO2)(10)
   F. Aguilera-Granja, A. Vega, and L. C. Balbas
   J. Chem. Phys. 144, 234312 (2016).
9. 3709 Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters
   R. Grande-Aztatzi, E. Formoso, J. M. Mercero, J. M. Matxain, S. J. Grabowski, and J. M. Ugalde
   J. Chem. Phys. 144, 114302 (2016).
10. 3710 On the tautomerisation of porphycene on copper (111): Finding the subtle balance between van der Waals interactions and hybridisation
    D. Novko, J. Christophe Tremblay, and M. Blanco-Rey
    J. Chem. Phys. 145, 244701 (2016).
11. 3711 Electron-hole pair effects in methane dissociative chemisorption on Ni(111)
    X. Luo, B. Jiang, J. I. Juaristi, M. Alducin, and H. Guo
    J. Chem. Phys. 145, 044704 (2016).
12. 3712 Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems
    D. Casanova, and A. I. Krylov
    J. Chem. Phys. 144, 014102 (2016).
13. 3713 Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods
    F. Agostini, S. K. Min, A. Abedi, and E. K. U. Gross
    J. Chem. Theory Comput. 12, 2127 (2016).
14. 3714 Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110)
    D. John Mowbray, and A. Migani
    J. Chem. Theory Comput. 12, 2843 (2016).
15. 3715 Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)(6)](2+)
    M. Fumanal, L. K. Wagner, S. Sanvito, and A. Droghetti
    J. Chem. Theory Comput. 12, 4233 (2016).
16. 3716 Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials
    J. M. Boereboom, R. Potestio, D. Donadio, and R. E. Bulo
    J. Chem. Theory Comput. 12, 3441 (2016).
17. 3717 Low-Lying pi pi* States of Heteroaromatic Molecules: A Challenge for Excited State Methods
    A. Prlj, M. Eugenia Sandoval-Salinas, D. Casanova, D. Jacquemin, and C. Corminboeuf
    J. Chem. Theory Comput. 12, 2652 (2016).
18. 3718 Interplay Between Aromaticity and Strain in Double Group Transfer Reactions to 1,2-Benzyne
    I. Fernandez, and F. P. Cossio
    J. Comput. Chem. 37, 1265 (2016).
19. 3719 The Barrier to the Methyl Rotation in Cis-2-Butene and its Isomerization Energy to Trans-2-Butene, Revisited
    C. F. Matta, S. Sadjadi, D. A. Braden, and G. Frenking
    J. Comput. Chem. 37, 143 (2016).
20. 3720 Polarization-selective enhancement of Nd3+ photoluminescence assisted by linear chains of silver nanoparticles
    E. Yraola, L. Sanchez-Garcia, C. Tserkezis, P. Molina, M. O. Ramirez, J. Aizpurua, and L. E. Bausa
    J. Lumines. 169, 569 (2016).