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6744 results: 6706 articles and 38 books or book chapters

1. 3821 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. 3822 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. 3823 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. 3824 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. 3825 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. 3826 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. 3827 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. 3828 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. 3829 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. 3830 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. 3831 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. 3832 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. 3833 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. 3834 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. 3835 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. 3836 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. 3837 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. 3838 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. 3839 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. 3840 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).