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6839 results: 6801 articles and 38 books or book chapters
Last updated: Nov 12, 2025-
3621
Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer
Transition-metal Dichalcogenide Heterostructures
H. Sener Sen, L. Xian, F. H. da Jornada, S. G. Louie, and A. Rubio
Isr. J. Chem. 57, 540 (2017). -
3622
Competing rhombohedral and monoclinic crystal structures in MnPn(2)Ch(4)
compounds: An ab-initio study
S. V. Eremeev, M. M. Otrokov, and E. V. Chulkov
J. Alloy. Compd. 709, 172 (2017). -
3623
Fluorenyl Based Macrocyclic Polyradicaloids
X. Lu, S. Lee, Y. Hong, Hoa Phan , T. Y. Gopalakrishna, T. S. Herng, T. Tanaka, M. Eugenia Sandoval-Salinas, W. Zeng, J. Ding, D. Casanova, A. Osuka, D. Kim, and J. Wu
J. Am. Chem. Soc. 139, 13173 (2017). -
3624
Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity
Precursors
S. Kundu, P. P. Samuel, S. Sinhababu, A. V. Luebben, B. Dittrich, D. M. Andrada, G. Frenking, A. C. Stueckl, B. Schwederski, A. Paretzki, W. Kaim, and H. W. Roesky
J. Am. Chem. Soc. 139, 11028 (2017). -
3625
Donor Acceptor Interaction Determines the Mechanism of Photoinduced
Electron Injection from Graphene Quantum Dots into TiO2:pi-Stacking
Supersedes Covalent Bonding
R. Long, D. Casanova, W. -H. Fang, and O. V. Prezhdo
J. Am. Chem. Soc. 139, 2619 (2017). -
3626
Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by
Densely Substituted Amino Acids
A. Sanchez-Sanchez, I. Rivilla, M. Agirre, A. Basterretxea, A. Etxeberria, A. Veloso, H. Sardon, D. Mecerreyes, and F. P. Cossio
J. Am. Chem. Soc. 139, 4805 (2017). -
3627
Double crystallographic groups and their representations on the Bilbao
Crystallographic Server
L. Elcoro, B. Bradlyn, Z. Wang, M. G. Vergniory, J. Cano, C. Felser, B. A. Bernevig, D. Orobengoa, G. de la Flor, and M. I. Aroyo
J. Appl. Crystallogr. 50, 1457 (2017). -
3628
Controlling plasmon modes and damping in buckled two-dimensional
material open systems
A. Iurov, G. Gumbs, D. Huang, and L. Zhemchuzhna
J. Appl. Phys. 121, 084306 (2017). -
3629
Electron refraction at lateral atomic interfaces
Z. M. Abd El-Fattah, M. A. Kher-Elden, O. Yassin, M. M. El-Okr, J. E. Ortega, and F. J. Garcia de Abajo
J. Appl. Phys. 122, 195306 (2017). -
3630
Exploring interacting Floquet states in black phosphorus: Anisotropy and
bandgap laser tuning
A. Iurov, L. Zhemchuzhna, G. Gumbs, and D. Huang
J. Appl. Phys. 122, 124301 (2017). -
3631
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). -
3632
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). -
3633
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). -
3634
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). -
3635
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). -
3636
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). -
3637
Analytic gradients for natural orbital functional theory
I. Mitxelena, and M. Piris
J. Chem. Phys. 146, 014102 (2017). -
3638
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). -
3639
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). -
3640
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).