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6961 results: 6918 articles and 43 books or book chapters

1. 4041 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).
2. 4042 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).
3. 4043 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).
4. 4044 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).
5. 4045 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).
6. 4046 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).
7. 4047 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).
8. 4048 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).
9. 4049 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).
10. 4050 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).
11. 4051 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).
12. 4052 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).
13. 4053 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).
14. 4054 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).
15. 4055 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).
16. 4056 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).
17. 4057 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).
18. 4058 Molecular-Level Realignment in Donor-Acceptor Bilayer Blends on Metals
    P. Borghetti, D. G. de Oteyza, C. Rogero, E. Goiri, A. Verdini, A. Cossaro, L. Floreano, and J. E. Ortega
    J. Phys. Chem. C 120, 5997 (2016).
19. 4059 Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers
    X. Feng, D. Casanova, and A. I. Krylov
    J. Phys. Chem. C 120, 19070 (2016).
20. 4060 Search for a Metallic Dangling-Bond Wire on n-Doped H-Passivated Semiconductor Surfaces
    M. Engelund, N. Papior, P. Brandimarte, T. Frederiksen, A. Garcia-Lekue, and D. Sanchez-Portal
    J. Phys. Chem. C 120, 20303 (2016).