Argitalpen bilaketa

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6763 results: 6725 articles and 38 books or book chapters

1. 3561 Analytic gradients for natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 146, 014102 (2017).
2. 3562 Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
   O. Galparsoro, H. F. Busnengo, J. Inaki Juaristi, C. Crespos, M. Alducin, and P. Larregaray
   J. Chem. Phys. 147, 121103 (2017).
3. 3563 On the tautomerisation of porphycene on copper (111): Finding the subtlebalance between van der Waals interactions and hybridisation (vol 145,244701, 2016)
   D. Novko, J. C. Tremblay, and M. Blanco-Rey
   J. Chem. Phys. 147, 169901 (2017).
4. 3564 Complex nonequilibrium dynamics of stacked polystyrene films deep in the glassy state
   V. M. Boucher, D. Cangialosi, A. Alegria, and J. Colmenero
   J. Chem. Phys. 146, 203312 (2017).
5. 3565 Simulations of water nano-confined between corrugated planes
   J. Zubeltzu, and E. Artacho
   J. Chem. Phys. 147, 194509 (2017).
6. 3566 Local Descriptors of Dynamic and Nondynamic Correlation
   E. Ramos-Cordoba, and E. Matito
   J. Chem. Theory Comput. 13, 2705 (2017).
7. 3567 Relevance of the DFT method to study expanded porphyrins with different topologies
   M. Torrent-Sucarrat, S. Navarro, F. P. Cossio, J. M. Anglada, and J. M. Luis
   J. Comput. Chem. 38, 2819 (2017).
8. 3568 Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in GaGeTe-type structures
   F. Pielnhofer, T. V. Menshchikova, I. P. Rusinov, A. Zeugner, I. Y. Sklyadneva, R. Heid, K. -P. Bohnen, P. Golub, A. I. Baranov, E. V. Chulkov, A. Pfitzner, M. Ruck, and A. Isaeva
   J. Mater. Chem. C 5, 4752 (2017).
9. 3569 Dual emission and multi-stimuli-response in iridium(III) complexes with aggregation-induced enhanced emission: applications for quantitative CO2 detection
   C. Climent, P. Alam, S. S. Pasha, G. Kaur, A. R. Choudhury, I. R. Laskar, P. Alemany, and D. Casanova
   J. Mater. Chem. C 5, 7784 (2017).
10. 3570 Transient and Stable Profiles During Anisotropic Wet Etching of Quartz
    Y. Xing, M. A. Gosalvez, H. Zhang, Y. Li, and X. Qiu
    J. Microelectromech. Syst. 26, 1063 (2017).
11. 3571 Charging dynamics of dopants in helium nanoplasmas
    A. Heidenreich, B. Gruener, D. Schomas, F. Stienkemeier, S. R. Krishnan, and M. Mudrich
    J. Mod. Opt. 64, 1061 (2017).
12. 3572 Exchange and correlation energies in silicene illuminated by circularly polarized light
    A. Iurov, G. Gumbs, and D. Huang
    J. Mod. Opt. 64, 913 (2017).
13. 3573 Angular streaking and sideband formation in rotating terahertz and far-infrared fields
    A. K. Kazansky, I. P. Sazhina, V. L. Nosik, and N. M. Kabachnik
    J. Phys. B-At. Mol. Opt. Phys. 50, 105601 (2017).
14. 3574 Dopant-induced ignition of helium nanoplasmas-a mechanistic study
    A. Heidenreich, D. Schomas, and M. Mudrich
    J. Phys. B-At. Mol. Opt. Phys. 50, 244001 (2017).
15. 3575 Ground- and excited-state scattering potentials for the stopping of protons in an electron gas
    F. Matias, R. C. Fadanelli, P. L. Grande, N. E. Koval, R. Diez Muino, A. G. Borisov, N. R. Arista, and G. Schiwietz
    J. Phys. B-At. Mol. Opt. Phys. 50, 185201 (2017).
16. 3576 The trans Effect in Palladium Phosphine Sulfonate Complexes
    E. Rezabal, J. M. Ugalde, and G. Frenking
    J. Phys. Chem. A 121, 7709 (2017).
17. 3577 X-ray Emission Spectrum of Liquid Ethanol: Origin of Split Peaks
    O. Takahashi, M. P. Ljungberg, and L. G. M. Pettersson
    J. Phys. Chem. B 121, 11163 (2017).
18. 3578 Unveiling the Catalytic Role of B-Block Histidine in the N-S Acyl Shift Step of Protein Splicing
    J. I. Mujika, and X. Lopez
    J. Phys. Chem. B 121, 7786 (2017).
19. 3579 On-surface synthesis of a pure and long-range-ordered titanium(IV)-porphyrin contact layer on titanium dioxide
    G. Lovat, D. Forrer, M. Abadia, M. Dominguez, M. Casarin, C. Rogero, A. Vittadini, and L. Floreano
    J. Phys. Chem. C 121, 13738 (2017).
20. 3580 Vibrational Excitation of H-2 Scattering from Cu(111): Effects of Surface Temperature and of Allowing Energy Exchange with the Surface
    G. -J. Kroes, J. I. Juaristi, and M. Alducin
    J. Phys. Chem. C 121, 13617 (2017).