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7152 results: 7109 articles and 43 books or book chapters

1. 4761 Stereochemistry of Complexes with Double and Triple Metal-Ligand Bonds: A Continuous Shape Measures Analysis
   S. Alvarez, B. Menjon, A. Falceto, D. Casanova, and P. Alemany
   Inorg. Chem. 53, 12151 (2014).
2. 4762 Application of the level set method for the visual representation of continuous cellular automata oriented to anisotropic wet etching
   C. Montoliu, N. Ferrando, J. Cerda, and R. J. Colom
   Int. J. Comput. Math. 91, 124 (2014).
3. 4763 Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide and Zinc Oxide: First-Principles Approach
   V. P. Zhukov, V. G. Tyuterev, E. V. Chulkov, and P. M. Echenique
   Int. J. Photoenergy 2014, 738921 (2014).
4. 4764 Perspective on Natural Orbital Functional Theory
   M. Piris, and J. M. Ugalde
   Int. J. Quantum Chem. 114, 1169 (2014).
5. 4765 Are There Really Cooper Pairs and Persistent Currents in Aromatic Molecules?
   R. H. Squire, N. H. March, and A. Rubio
   Int. J. Quantum Chem. 114, 437 (2014).
6. 4766 The phase equilibria in the Ag2S-Ag8GeS6-Ag8SnS6 system
   Z. M. Aliyeva, S. M. Bagheri, Z. S. Aliev, I. J. Alverdiyev, Y. A. Yusibov, and M. B. Babanly
   J. Alloy. Compd. 611, 395 (2014).
7. 4767 Photoinduced C-C Reactions on Insulators toward Photolithography of Graphene Nanoarchitectures
   C. -A. Palma, K. Diller, R. Berger, A. Welle, J. Bjork, J. L. Cabellos, D. J. Mowbray, A. C. Papageorgiou, N. P. Ivleva, S. Matich, E. Margapoti, R. Niessner, B. Menges, J. Reichert, X. Feng, H. J. Raeder, F. Klappenberger, A. Rubio, K. Muellen, and J. V. Barth, et al.
   J. Am. Chem. Soc. 136, 4651 (2014).
8. 4768 Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations
   R. Sarmiento-Perez, S. Botti, C. S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson
   J. Appl. Phys. 116, 093703 (2014).
9. 4769 Dielectric spectroscopy at the nanoscale by atomic force microscopy: A simple model linking materials properties and experimental response
   L. A. Miccio, M. M. Kummali, G. A. Schwartz, A. Alegria, and J. Colmenero
   J. Appl. Phys. 115, 184305 (2014).
10. 4770 The interaction of organic adsorbate vibrations with substrate lattice waves in methyl-Si(111)-(1 x 1)
    R. D. Brown, Z. M. Hund, D. Campi, L. E. O'Leary, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
    J. Chem. Phys. 141, 024702 (2014).
11. 4771 Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study
    P. Saalfrank, J. I. Juaristi, M. Alducin, M. Blanco-Rey, and R. D. Muino
    J. Chem. Phys. 141, 234702 (2014).
12. 4772 Two new constraints for the cumulant matrix
    E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
    J. Chem. Phys. 141, 234101 (2014).
13. 4773 Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach
    D. Casanova
    J. Chem. Phys. 140, 144111 (2014).
14. 4774 Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)
    G. -J. Kroes, M. Pavanello, M. Blanco-Rey, M. Alducin, and D. J. Auerbach
    J. Chem. Phys. 141, 054705 (2014).
15. 4775 Quasi-particle energy spectra in local reduced density matrix functional theory
    N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos
    J. Chem. Phys. 141, 164120 (2014).
16. 4776 Interacting pairs in natural orbital functional theory
    M. Piris
    J. Chem. Phys. 141, 044107 (2014).
17. 4777 Dielectric spectra broadening as a signature for dipole-matrix interaction. IV. Water in amino acids solutions
    E. Levy, S. Cerveny, I. Ermolina, A. Puzenko, and Y. Feldman
    J. Chem. Phys. 140, 135104 (2014).
18. 4778 Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
    J. M. Azpiroz, J. M. Ugalde, and I. Infante
    J. Chem. Theory Comput. 10, 76 (2014).
19. 4779 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
    D. Casanova
    J. Chem. Theory Comput. 10, 324 (2014).
20. 4780 New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
    F. Feixas, M. Sola, J. M. Barroso, J. M. Ugalde, and E. Matito
    J. Chem. Theory Comput. 10, 3055 (2014).