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6690 results: 6649 articles and 40 books or book chapters

1. 3741 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. 3742 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. 3743 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. 3744 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. 3745 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. 3746 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. 3747 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. 3748 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. 3749 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. 3750 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. 3751 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. 3752 Molecular electric moments calculated by using natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 144, 204108 (2016).
13. 3753 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. 3754 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. 3755 New structural and electronic properties of (TiO2)(10)
    F. Aguilera-Granja, A. Vega, and L. C. Balbas
    J. Chem. Phys. 144, 234312 (2016).
16. 3756 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. 3757 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. 3758 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. 3759 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. 3760 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).