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7309 results: 7249 articles and 60 books or book chapters

1. 4101 Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?
   F. Manzoni, J. Uranga, S. Genheden, and U. Ryde
   J. Chem Inf. Model. 57, 2865 (2017).
2. 4102 Possible effect of static surface disorder on diffractive scattering of H-2 from Ru(0001): Comparison between theory and experiment
   G. J. Kroes, M. Wijzenbroek, and J. R. Manson
   J. Chem. Phys. 147, 244705 (2017).
3. 4103 A tunable electronic beam splitter realized with crossed graphene nanoribbons
   P. Brandimarte, M. Engelund, N. Papior, A. Garcia-Lekue, T. Frederiksen, and D. Sanchez-Portal
   J. Chem. Phys. 146, 092318 (2017).
4. 4104 On the non-exponentiality of the dielectric Debye-like relaxation of monoalcohols
   S. Arrese-Igor, A. Alegria, and J. Colmenero
   J. Chem. Phys. 146, 114502 (2017).
5. 4105 Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol
   M. P. Ljungberg, I. Zhovtobriukh, O. Takahashi, and L. G. M. Pettersson
   J. Chem. Phys. 146, 134506 (2017).
6. 4106 From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect
   D. -J. Choi, P. Abufager, L. Limot, and N. Lorente
   J. Chem. Phys. 146, 092309 (2017).
7. 4107 Analytic gradients for natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 146, 014102 (2017).
8. 4108 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).
9. 4109 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).
10. 4110 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).
11. 4111 Simulations of water nano-confined between corrugated planes
    J. Zubeltzu, and E. Artacho
    J. Chem. Phys. 147, 194509 (2017).
12. 4112 Local Descriptors of Dynamic and Nondynamic Correlation
    E. Ramos-Cordoba, and E. Matito
    J. Chem. Theory Comput. 13, 2705 (2017).
13. 4113 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).
14. 4114 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).
15. 4115 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).
16. 4116 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).
17. 4117 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).
18. 4118 Exchange and correlation energies in silicene illuminated by circularly polarized light
    A. Iurov, G. Gumbs, and D. Huang
    J. Mod. Opt. 64, 913 (2017).
19. 4119 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).
20. 4120 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).