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6554 results: 6514 articles and 40 books or book chapters
Last updated: 2025/04/22-
3341 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). -
3342 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). -
3343 Analytic gradients for natural orbital functional theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 146, 014102 (2017). -
3344 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). -
3345 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). -
3346 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). -
3347 Simulations of water nano-confined between corrugated planes
J. Zubeltzu, and E. Artacho
J. Chem. Phys. 147, 194509 (2017). -
3348 Local Descriptors of Dynamic and Nondynamic Correlation
E. Ramos-Cordoba, and E. Matito
J. Chem. Theory Comput. 13, 2705 (2017). -
3349 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). -
3350 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). -
3351 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). -
3352 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). -
3353 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). -
3354 Exchange and correlation energies in silicene illuminated by circularly polarized light
A. Iurov, G. Gumbs, and D. Huang
J. Mod. Opt. 64, 913 (2017). -
3355 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). -
3356 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). -
3357 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). -
3358 The trans Effect in Palladium Phosphine Sulfonate Complexes
E. Rezabal, J. M. Ugalde, and G. Frenking
J. Phys. Chem. A 121, 7709 (2017). -
3359 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). -
3360 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).