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6945 results: 6907 articles and 38 books or book chapters
Last updated: 2026/01/19-
5021
Planar tetracoordinate carbon in CE42- (E = Al-Tl) clusters
A. C. Castro, M. Audiffred, J. M. Mercero, J. M. Ugalde, M. A. Mendez-Rojas, and G. Merino
Chem. Phys. Lett. 519-20, 29 (2012). -
5022
Structure and stability of the Si4Lin (n=1-7) binary clusters
E. Osorio, V. Villalobos, J. C. Santos, K. J. Donald, G. Merino, and W. Tiznado
Chem. Phys. Lett. 522, 67 (2012). -
5023
sp(3) Hybrid orbitals and ionization energies of methane from PNOF5
J. M. Matxain, M. Piris, J. M. Mercero, X. Lopez, and J. M. Ugalde
Chem. Phys. Lett. 531, 272 (2012). -
5024
Densely substituted unnatural L- and D-prolines as catalysts for highly
enantioselective stereodivergent (3+2) cycloadditions and aldol
reactions
E. Conde, D. Bello, A. de Cozar, M. Sanchez, M. A. Vazquez, and F. P. Cossio
Chem. Sci. 3, 1486 (2012). -
5025
Supramolecular Assembly of Diplatinum Species through Weak PtII center
dot center dot center dot PtII Intermolecular Interactions: A Combined
Experimental and Computational Study
A. Perez Paz, L. A. Espinosa Leal, M. -R. Azani, A. Guijarro, P. J. Sanz Miguel, G. Givaja, O. Castillo, R. Mas-Balleste, F. Zamora, and A. Rubio
Chem.-Eur. J. 18, 13787 (2012). -
5026
Stabilizing H-3(-): Or Are We Stabilizing a Proton?
S. J. Grabowski, and R. Hoffmann
ChemPhysChem 13, 2286 (2012). -
5027
The Nature of Chemical Bonds from PNOF5 Calculations
J. M. Matxain, M. Piris, J. Uranga, X. Lopez, G. Merino, and J. M. Ugalde
ChemPhysChem 13, 2297 (2012). -
5028
Non-covalent interactions Preface
I. Alkorta, and S. J. Grabowski
Comput. Theor. Chem. 998, 1 (2012). -
5029
Non-covalent interactions in NH4+center dot center dot center
dot(C2H2)(n) ammonium cation-acetylene
S. J. Grabowski
Comput. Theor. Chem. 992, 70 (2012). -
5030
Classical dynamics study of atomic oxygen over graphite (0001) with new
interpolated and analytical potential energy surfaces
V. Moron, L. Martin-Gondre, C. Crespos, P. Larregaray, P. Gamallo, and R. Sayos
Comput. Theor. Chem. 990, 132 (2012). -
5031
Energy dissipation channels in the adsorption of N on Ag(111)
L. Martin-Gondre, G. A. Bocan, M. Alducin, J. I. Juaristi, and R. Diez Muino
Comput. Theor. Chem. 990, 126 (2012). -
5032
Normalization of the Gaussian binning trajectory method for indirect
reactions
L. Bonnet, P. Larregaray, W. Arbelo-Gonzalez, and M. de Castro-Vitores
Comput. Theor. Chem. 990, 30 (2012). -
5033
The strength of frustration and quantum fluctuations in LiVCuO4
S. Nishimoto, S. -L. Drechsler, R. Kuzian, J. Richter, J. Malek, M. Schmitt, J. van den Brink, and H. Rosner
EPL 98, 37007 (2012). -
5034
Zero point motion effect on the electronic properties of diamond,
trans-polyacetylene and polyethylene
E. Cannuccia, and A. Marini
Eur. Phys. J. B 85, 320 (2012). -
5035
Editorial: Challenges and solutions in GW calculations for complex
systems
F. Giustino, P. Umari, and A. Rubio
Eur. Phys. J. B 85, 319 (2012). -
5036
Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a
combination of theoretical methods
C. Schuster, M. Gatti, and A. Rubio
Eur. Phys. J. B 85, 325 (2012). -
5037
Study of tetrabutylammonium bromide in aqueous solution by neutron
scattering
D. Bhowmik, N. Malikova, J. Teixeira, G. Meriguet, O. Bernard, P. Turq, and W. Haeussler
Eur. Phys. J.-Spec. Top. 213, 303 (2012). -
5038
Hot Carrier Solar Cells: Controlling Thermalization in Ultrathin Devices
A. Le Bris, J. Rodiere, C. Colin, S. Collin, J. -L. Pelouard, R. Esteban, M. Laroche, J. -J. Greffet, and J. -F. Guillemoles
IEEE J. Photovolt. 2, 506 (2012). -
5039
Molecular Conductance in Relation to Inverse Transport Theory and to
Chemical Bond Order
D. J. Klein, and N. H. March
Int. J. Quantum Chem. 112, 99 (2012). -
5040
Inertness and degradation of (0001) surface of Bi2Se3 topological
insulator
V. A. Golyashov, K. A. Kokh, S. V. Makarenko, K. N. Romanyuk, I. P. Prosvirin, A. V. Kalinkin, O. E. Tereshchenko, A. S. Kozhukhov, D. V. Sheglov, S. V. Eremeev, S. D. Borisova, and E. V. Chulkov
J. Appl. Phys. 112, 113702 (2012).