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7344 results: 7284 articles and 60 books or book chapters

1. 4421 Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110)
   D. John Mowbray, and A. Migani
   J. Chem. Theory Comput. 12, 2843 (2016).
2. 4422 Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)(6)](2+)
   M. Fumanal, L. K. Wagner, S. Sanvito, and A. Droghetti
   J. Chem. Theory Comput. 12, 4233 (2016).
3. 4423 Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials
   J. M. Boereboom, R. Potestio, D. Donadio, and R. E. Bulo
   J. Chem. Theory Comput. 12, 3441 (2016).
4. 4424 Low-Lying pi pi* States of Heteroaromatic Molecules: A Challenge for Excited State Methods
   A. Prlj, M. Eugenia Sandoval-Salinas, D. Casanova, D. Jacquemin, and C. Corminboeuf
   J. Chem. Theory Comput. 12, 2652 (2016).
5. 4425 Interplay Between Aromaticity and Strain in Double Group Transfer Reactions to 1,2-Benzyne
   I. Fernandez, and F. P. Cossio
   J. Comput. Chem. 37, 1265 (2016).
6. 4426 The Barrier to the Methyl Rotation in Cis-2-Butene and its Isomerization Energy to Trans-2-Butene, Revisited
   C. F. Matta, S. Sadjadi, D. A. Braden, and G. Frenking
   J. Comput. Chem. 37, 143 (2016).
7. 4427 Polarization-selective enhancement of Nd3+ photoluminescence assisted by linear chains of silver nanoparticles
   E. Yraola, L. Sanchez-Garcia, C. Tserkezis, P. Molina, M. O. Ramirez, J. Aizpurua, and L. E. Bausa
   J. Lumines. 169, 569 (2016).
8. 4428 Er3+-doped fluorotellurite thin film glasses with improved photoluminescence emission at 1.53 mu m
   R. Morea, A. Miguel, T. T. Fernandez, B. Mate, F. J. Ferrer, C. Maffiotte, J. Fernandez, R. Balda, and J. Gonzalo
   J. Lumines. 170, 778 (2016).
9. 4429 Coherence characteristics of random lasing in a dye doped hybrid powder
   S. Garcia-Revilla, J. Fernandez, M. Barredo-Zuriarrain, E. Pecoraro, M. A. Arriandiaga, I. Iparraguirre, J. Azkargorta, and R. Balda
   J. Lumines. 169, 472 (2016).
10. 4430 Transient mechanochromism in epoxy vitrimer composites containing aromatic disulfide crosslinks
    A. Ruiz de Luzuriaga, J. M. Matxain, F. Ruiperez, R. Martin, J. M. Asua, G. Cabanero, and I. Odriozola
    J. Mater. Chem. C 4, 6220 (2016).
11. 4431 Fluctuations During Anisotropic Etching: Local Recalibration and Application to Si110
    M. A. Gosalvez, Y. Li, N. Ferrando, P. Pal, K. Sato, and Y. Xing
    J. Microelectromech. Syst. 25, 788 (2016).
12. 4432 Evidence for faster etching at the mask-substrate interface: atomistic simulation of complex cavities at the micron-/submicron-scale by the continuous cellular automaton
    M. A. Gosalvez, N. Ferrando, Y. Fedoryshyn, J. Leuthold, and K. M. McPeak
    J. Micromech. Microeng. 26, 045013 (2016).
13. 4433 Angular distribution and circular dichroism in the two-colour XUV plus NIR above-threshold ionization of helium
    T. Mazza, M. Ilchen, A. J. Rafipoor, C. Callegari, P. Finetti, O. Plekan, K. C. Prince, R. Richter, A. Demidovich, C. Grazioli, L. Avaldi, P. Bolognesi, M. Coreno, P. O'Keeffe, M. Di Fraia, M. Devetta, Y. Ovcharenko, V. Lyamayev, S. Duesterer, K. Ueda, et al.
    J. Mod. Opt. 63, 367 (2016).
14. 4434 Structural, electronic, and magnetic properties of Fe (x) Co (y) Pd (z) (x plus y plus z aecurrency sign 7) clusters: a density functional theory study
    A. Varas, F. Aguilera-Granja, J. Rogan, and M. Kiwi
    J. Nanopart. Res. 18, 252 (2016).
15. 4435 Hybrid cluster-expansion and density-functional-theory approach for optical absorption in TiO2
    O. Vaenskae, M. P. Ljungberg, P. Springer, D. Sanchez-Portal, M. Kira, and S. W. Koch
    J. Opt. Soc. Am. B-Opt. Phys. 33, C123 (2016).
16. 4436 Stereospecific Synthesis of alpha-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes
    S. Henrion, B. Carboni, , F. P. Cossio, T. Roisnel, J. M. Villalgordo, and F. Carreaux
    J. Org. Chem. 81, 4633 (2016).
17. 4437 Angle resolved photoelectron spectroscopy of two-color XUV-NIR ionization with polarization control
    S. Duesterer, G. Hartmann, F. Babies, A. Beckmann, G. Brenner, J. Buck, J. Costello, L. Dammann, A. De Fanis, P. Gessler, L. Glaser, M. Ilchen, P. Johnsson, A. K. Kazansky, T. J. Kelly, T. Mazza, M. Meyer, V. L. Nosik, I. P. Sazhina, F. Scholz, et al.
    J. Phys. B-At. Mol. Opt. Phys. 49, 165003 (2016).
18. 4438 4th International Conference on Chemical Bonding
    J. M. Ugalde, P. Bultinck, F. M. Bickelhaupt, and A. N. Alexandrova
    J. Phys. Chem. A 120, 9353 (2016).
19. 4439 Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
    D. J. Mowbray, A. Perez Paz, G. Ruiz-Soria, M. Sauer, P. Lacovig, M. Dalmiglio, S. Lizzit, K. Yanagi, A. Goldoni, T. Pichler, P. Ayala, and A. Rubio
    J. Phys. Chem. C 120, 18316 (2016).
20. 4440 Metallic and Magnetic 2D Materials Containing Planar Tetracoordinated C and N
    E. Jimenez-Izal, M. Saeys, and A. N. Alexandrova
    J. Phys. Chem. C 120, 21685 (2016).