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7152 results: 7109 articles and 43 books or book chapters

1. 4521 Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
   I. Theophilou, N. N. Lathiotakis, N. I. Gidopoulos, A. Rubio, and N. Helbig
   J. Chem. Phys. 143, 054106 (2015).
2. 4522 Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields
   M. Blanco-Rey, and J. C. Tremblay
   J. Chem. Phys. 142, 154704 (2015).
3. 4523 Bright Fission: Singlet Fission into a Pair of Emitting States
   D. Casanova
   J. Chem. Theory Comput. 11, 2642 (2015).
4. 4524 Quasiparticle Interfacial Level Alignment of Highly Hybridized Frontier Levels: H2O on TiO2(110)
   A. Migani, D. J. Mowbray, J. Zhao, and H. Petek
   J. Chem. Theory Comput. 11, 239 (2015).
5. 4525 Effect of addition of silica- and amine functionalized silica-nanoparticles on the microstructure of calcium silicate hydrate (C-S-H) gel
   M. Monasterio, J. J. Gaitero, E. Erkizia, A. M. Guerrero Bustos, L. A. Miccio, J. S. Dolado, and S. Cerveny
   J. Colloid Interface Sci. 450, 109 (2015).
6. 4526 A Hierarchical Algorithm for Molecular Similarity (H-FORMS)
   A. Ramirez-Manzanares, J. Pena, J. M. Azpiroz, and G. Merino
   J. Comput. Chem. 36, 1456 (2015).
7. 4527 Multiple-time-stepping generalized hybrid Monte Carlo methods
   B. Escribano, E. Akhmatskaya, S. Reich, and J. M. Azpiroz
   J. Comput. Phys. 280, 1 (2015).
8. 4528 Dichroism in the photoionisation of atoms at XUV free-electron lasers
   T. Mazza, E. V. Gryzlova, A. N. Grum-Grzhimailo, A. K. Kazansky, N. M. Kabachnik, and M. Meyer
   J. Electron Spectrosc. Relat. Phenom. 204, 313 (2015).
9. 4529 Aluminum and its effect in the equilibrium between folded/unfolded conformation of NADH
   E. Formoso, J. I. Mujika, S. J. Grabowski, and X. Lopez
   J. Inorg. Biochem. 152, 139 (2015).
10. 4530 Down- and up-conversion emissions in Er3+-Yb3+ codoped TeO2-ZnO-ZnF2 glasses
    A. Miguel, M. A. Arriandiaga, R. Morea, J. Fernandez, J. Gonzalo, and R. Balda
    J. Lumines. 158, 142 (2015).
11. 4531 Synthesis, structure, theoretical studies and luminescent properties of a ternary erbium(III) complex with acetylacetone and bathophenanthroline ligands
    P. Martin-Ramos, P. S. Pereira Silva, P. Chamorro-Posada, M. R. Silva, B. F. Milne, F. Nogueira, and J. Martin-Gil
    J. Lumines. 162, 41 (2015).
12. 4532 Structural, electronic, and magnetic properties of FexCoyNiz (x plus y plus z=13) clusters: A density-functional-theory study
    A. Varas, F. Aguilera-Granja, J. Rogan, and M. Kiwi
    J. Magn. Magn. Mater. 394, 325 (2015).
13. 4533 Heat transport and electron cooling in ballistic normal-metal/spin-filter/superconductor junctions
    S. Kawabata, A. S. Vasenko, A. Ozaeta, S. F. Bergeret, and F. W. J. Hekking
    J. Magn. Magn. Mater. 383, 157 (2015).
14. 4534 Detection of small exchange fields in S/F structures
    A. S. Vasenko, S. Kawabata, A. Ozaeta, A. A. Golubov, V. S. Stolyarov, F. S. Bergeret, and F. W. J. Hekking
    J. Magn. Magn. Mater. 383, 175 (2015).
15. 4535 Interface induced states at the boundary between a 3D topological insulator Bi2Se3 and a ferromagnetic insulator EuS
    S. V. Eremeev, V. N. Men'shov, V. V. Tugushev, and E. V. Chulkov
    J. Magn. Magn. Mater. 383, 30 (2015).
16. 4536 Information-theoretic aspects of friction in the quantum mechanics of an interacting two-electron harmonic atom
    I. Nagy, and M. L. Glasser
    J. Math. Chem. 53, 1274 (2015).
17. 4537 Particle swarm optimization-based continuous cellular automaton for the simulation of deep reactive ion etching
    Y. Li, M. A. Gosalvez, P. Pal, K. Sato, and Y. Xing
    J. Micromech. Microeng. 25, 055023 (2015).
18. 4538 Anisotropic etching on Si1 1 0: experiment and simulation for theformation of microstructures with convex corners (vol 24, 125001, 2014)
    P. Pal, M. A. Gosalvez, K. Sato, H. Hida, and Y. Xing
    J. Micromech. Microeng. 25, 049601 (2015).
19. 4539 Non-exponential Rouse correlators and generalized magnitudes probing chain dynamics
    J. Colmenero
    J. Non-Cryst. Solids 407, 302 (2015).
20. 4540 Dynamics of amorphous and partially crystallized proline solutions
    L. M. Saiz, and S. Cerveny
    J. Non-Cryst. Solids 407, 486 (2015).