검색결과 : 28건
| No. | Article |
|---|---|
| 1 |
Molecular dynamics simulations of novel electrolytes based on mixtures of protic and aprotic ionic liquids at the electrochemical interface: Structure and capacitance of the electric double layer Docampo-Alvarez B, Gomez-Gonzalez V, Cabeza O, Ivanistsev VB, Gallego LJ, Varela LM Electrochimica Acta, 305, 223, 2019 |
| 2 |
Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study Lebon A, Aguilera-del-Toro RH, Gallego LJ, Vega A International Journal of Hydrogen Energy, 44(2), 1021, 2019 |
| 3 |
King Grass: A promising material for the production of second-generation butanol Gallego LJ, Escobar A, Penuela M, Pena JD, Rios LA Fuel, 143, 399, 2015 |
| 4 |
Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study Lebon A, Carrete J, Gallego LJ, Vega A International Journal of Hydrogen Energy, 40(14), 4960, 2015 |
| 5 |
Solvation of Lithium Salts in Protic Ionic Liquids: A Molecular Dynamics Study Mendez-Morales T, Carrete J, Cabeza O, Russina O, Triolo A, Gallego LJ, Varela LM Journal of Physical Chemistry B, 118(3), 761, 2014 |
| 6 |
Molecular hydrogen uptake by zigzag graphene nanoribbons doped with early 3d transition-metal atoms Lebon A, Carrete J, Longo RC, Vega A, Gallego LJ International Journal of Hydrogen Energy, 38(21), 8872, 2013 |
| 7 |
MD Simulations of the Formation of Stable Clusters in Mixtures of Alkaline Salts and Imidazolium-Based Ionic Liquids Mendez-Morales T, Carrete J, Bouzon-Capelo S, Perez-Rodriguez M, Cabeza O, Gallego LJ, Varela LM Journal of Physical Chemistry B, 117(11), 3207, 2013 |
| 8 |
Investigation of the Local Structure of Mixtures of an Ionic Liquid with Polar Molecular Species through Molecular Dynamics: Cluster Formation and Angular Distributions Carrete J, Mendez-Morales T, Cabeza O, Lynden-Bell RM, Gallego LJ, Varela LM Journal of Physical Chemistry B, 116(20), 5941, 2012 |
| 9 |
Magnetic Cooperative Effects in Small Ni-Ru Clusters Aguilera-Granja F, Longo RC, Gallego LJ, Vega A Journal of Physical Chemistry A, 115(47), 13950, 2011 |
| 10 |
Molecular Dynamics Simulation of the Structure and Dynamics of Water-1-Alkyl-3-methylimidazolium Ionic Liquid Mixtures Mendez-Morales T, Carrete J, Cabeza O, Gallego LJ, Varela LM Journal of Physical Chemistry B, 115(21), 6995, 2011 |