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6749 results: 6711 articles and 38 books or book chapters

1. 3541 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. 3542 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. 3543 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. 3544 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. 3545 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. 3546 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. 3547 Analytic gradients for natural orbital functional theory
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 146, 014102 (2017).
8. 3548 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. 3549 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. 3550 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. 3551 Simulations of water nano-confined between corrugated planes
    J. Zubeltzu, and E. Artacho
    J. Chem. Phys. 147, 194509 (2017).
12. 3552 Local Descriptors of Dynamic and Nondynamic Correlation
    E. Ramos-Cordoba, and E. Matito
    J. Chem. Theory Comput. 13, 2705 (2017).
13. 3553 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. 3554 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. 3555 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. 3556 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. 3557 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. 3558 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. 3559 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. 3560 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).