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7344 results: 7284 articles and 60 books or book chapters

1. 4401 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. 4402 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. 4403 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. 4404 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. 4405 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. 4406 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. 4407 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. 4408 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. 4409 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. 4410 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. 4411 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. 4412 Molecular electric moments calculated by using natural orbital functional theory
    I. Mitxelena, and M. Piris
    J. Chem. Phys. 144, 204108 (2016).
13. 4413 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. 4414 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. 4415 New structural and electronic properties of (TiO2)(10)
    F. Aguilera-Granja, A. Vega, and L. C. Balbas
    J. Chem. Phys. 144, 234312 (2016).
16. 4416 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. 4417 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. 4418 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. 4419 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. 4420 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).