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6744 results: 6706 articles and 38 books or book chapters
Last updated: Sep 12, 2025-
3541 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). -
3542 Analytic gradients for natural orbital functional theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 146, 014102 (2017). -
3543 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). -
3544 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). -
3545 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). -
3546 Simulations of water nano-confined between corrugated planes
J. Zubeltzu, and E. Artacho
J. Chem. Phys. 147, 194509 (2017). -
3547 Local Descriptors of Dynamic and Nondynamic Correlation
E. Ramos-Cordoba, and E. Matito
J. Chem. Theory Comput. 13, 2705 (2017). -
3548 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). -
3549 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). -
3550 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). -
3551 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). -
3552 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). -
3553 Exchange and correlation energies in silicene illuminated by circularly polarized light
A. Iurov, G. Gumbs, and D. Huang
J. Mod. Opt. 64, 913 (2017). -
3554 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). -
3555 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). -
3556 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). -
3557 The trans Effect in Palladium Phosphine Sulfonate Complexes
E. Rezabal, J. M. Ugalde, and G. Frenking
J. Phys. Chem. A 121, 7709 (2017). -
3558 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). -
3559 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). -
3560 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).