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6327 results: 6287 articles and 40 books or book chapters
Last updated: Nov 19, 2024-
4401
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). -
4402
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). -
4403
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). -
4404
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). -
4405
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). -
4406
Stabilizing H-3(-): Or Are We Stabilizing a Proton?
S. J. Grabowski, and R. Hoffmann
ChemPhysChem 13, 2286 (2012). -
4407
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). -
4408
Non-covalent interactions Preface
I. Alkorta, and S. J. Grabowski
Comput. Theor. Chem. 998, 1 (2012). -
4409
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). -
4410
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). -
4411
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). -
4412
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). -
4413
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). -
4414
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). -
4415
Editorial: Challenges and solutions in GW calculations for complex
systems
F. Giustino, P. Umari, and A. Rubio
Eur. Phys. J. B 85, 319 (2012). -
4416
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). -
4417
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). -
4418
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). -
4419
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). -
4420
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).