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6744 results: 6706 articles and 38 books or book chapters

1. 3801 Chemical and ionization potentials: Relation via the Pauli potential and NOF theory
   M. Piris, and N. H. March
   Int. J. Quantum Chem. 116, 805 (2016).
2. 3802 Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters
   S. Das, T. S. Herng, J. L. Zafra, P. M. Burrezo, M. Kitano, M. Y. Ishida, T. Y. Gopalakrishna, P. Hu, A. Osuka, J. Casado, J. Ding, D. Casanova, and J. Wu
   J. Am. Chem. Soc. 138, 7782 (2016).
3. 3803 Noncovalent Dimerization after Enediyne Cyclization on Au(111)
   D. G. de Oteyza, A. Perez Paz, Y. -C. Chen, Z. Pedramrazi, A. Riss, S. Wickenburg, H. -Z. Tsai, F. R. Fischer, M. F. Crommie, and A. Rubio
   J. Am. Chem. Soc. 138, 10963 (2016).
4. 3804 Surface cis Effect: Influence of an Axial Ligand on Molecular Self Assembly
   T. Knaak, T. G. Gopakumar, B. Schwager, F. Tuczek, R. Robles, N. Lorente, and R. Berndt
   J. Am. Chem. Soc. 138, 7544 (2016).
5. 3805 Gold as a 6p-Element in Dense Lithium Aurides
   G. Yang, Y. Wang, F. Peng, A. Bergara, and Y. Ma
   J. Am. Chem. Soc. 138, 4046 (2016).
6. 3806 Mechanistic Picture and Kinetic Analysis of Surface-Confined Ullmann Polymerization
   M. Di Giovannantonio, M. Tomellini, J. Lipton-Duffin, G. Galeotti, M. Ebrahimi, A. Cossaro, A. Verdini, N. Kharche, V. Meunier, G. Vasseur, Y. Fagot-Revurat, D. F. Perepichka, F. Rosei, and G. Contini
   J. Am. Chem. Soc. 138, 16696 (2016).
7. 3807 Higher Order pi-Conjugated Polycyclic Hydrocarbons with Open-Shell Singlet Ground State: Nonazethrene versus Nonacene
   R. Huang, H. Phan, T. S. Herng, P. Hu, W. Zeng, S. -qiang Dong, S. Das, Y. Shen, J. Ding, D. Casanova, and J. Wu
   J. Am. Chem. Soc. 138, 10323 (2016).
8. 3808 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).
9. 3809 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).
10. 3810 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).
11. 3811 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).
12. 3812 Molecular electric moments calculated by using natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 144, 204108 (2016).
13. 3813 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).
14. 3814 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).
15. 3815 New structural and electronic properties of (TiO2)(10)
    F. Aguilera-Granja, A. Vega, and L. C. Balbas
    J. Chem. Phys. 144, 234312 (2016).
16. 3816 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).
17. 3817 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).
18. 3818 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).
19. 3819 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).
20. 3820 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).