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Gregorio García
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Deep eutectic solvents: physicochemical properties and gas separation applications
G García, S Aparicio, R Ullah, M Atilhan
Energy & Fuels 29 (4), 2616-2644, 2015
9142015
A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO 2 capture via experimental and molecular simulation approaches
R Ullah, M Atilhan, B Anaya, M Khraisheh, G García, A ElKhattat, M Tariq, ...
Physical Chemistry Chemical Physics 17 (32), 20941-20960, 2015
1412015
An approach for the rationalization of melting temperature for deep eutectic solvents from DFT
G García, M Atilhan, S Aparicio
Chemical Physics Letters 634, 151-155, 2015
1342015
Exploring excited states using time dependent density functional theory and density-based indexes
C Adamo, T Le Bahers, M Savarese, L Wilbraham, G García, R Fukuda, ...
Coordination Chemistry Reviews 304, 166-178, 2015
1282015
Systematic study on the viscosity of ionic liquids: measurement and prediction
R Alcalde, G Garcia, M Atilhan, S Aparicio
Industrial & Engineering Chemistry Research 54 (43), 10918-10924, 2015
922015
Interfacial Properties of Deep Eutectic Solvents Regarding to CO2 Capture
G Garcia, M Atilhan, S Aparicio
The Journal of Physical Chemistry C 119 (37), 21413-21425, 2015
912015
Solution-based synthesis and processing of Sn-and Bi-doped Cu 3 SbSe 4 nanocrystals, nanomaterials and ring-shaped thermoelectric generators
Y Liu, G García, S Ortega, D Cadavid, P Palacios, J Lu, M Ibáñez, L Xi, ...
Journal of materials chemistry A 5 (6), 2592-2602, 2017
792017
Evaluating push–pull dye efficiency using TD-DFT and charge transfer indices
G García, C Adamo, I Ciofini
Physical Chemistry Chemical Physics 15 (46), 20210-20219, 2013
782013
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents
G García, M Atilhan, S Aparicio
Journal of Molecular Liquids 211, 506-514, 2015
762015
A theoretical study on mitigation of CO2 through advanced deep eutectic solvents
G García, M Atilhan, S Aparicio
International Journal of Greenhouse Gas Control 39, 62-73, 2015
562015
Theoretical study of the effect of alkyl and alkoxy lateral chains on the structural and electronic properties of π-conjugated polymers consisting of phenylethynyl-1, 3, 4 …
JM Granadino-Roldán, A Garzón, G García, M Moral, A Navarro, ...
The Journal of Physical Chemistry C 115 (6), 2865-2873, 2011
462011
Adsorption of choline benzoate ionic liquid on graphene, silicene, germanene and boron-nitride nanosheets: a DFT perspective
G García, M Atilhan, S Aparicio
Physical Chemistry Chemical Physics 17 (25), 16315-16326, 2015
452015
Synthèses et tableaux de corrélations
JP Aguilar, S Legendre, J Michaux
BiochroM 97, 769-805, 1997
451997
Nanowetting of graphene by ionic liquid droplets
C Herrera, G García, M Atilhan, S Aparicio
The Journal of Physical Chemistry C 119 (43), 24529-24537, 2015
422015
A density functional theory insight towards the rational design of ionic liquids for SO 2 capture
G García, M Atilhan, S Aparicio
Physical Chemistry Chemical Physics 17 (20), 13559-13574, 2015
412015
Thermoelectric Properties of Doped-Cu3SbSe4 Compounds: A First-Principles Insight
G Garcia, P Palacios, A Cabot, P Wahnón
Inorganic Chemistry 57 (12), 7321-7333, 2018
382018
Experimental and DFT Approach on the Determination of Natural Gas Hydrate Equilibrium with the Use of Excess N2 and Choline Chloride Ionic Liquid as an …
M Tariq, M Atilhan, M Khraisheh, E Othman, M Castier, G García, ...
Energy & Fuels 30 (4), 2821-2832, 2016
372016
A molecular dynamics study on aminoacid-based ionic liquids
C Herrera, G García, M Atilhan, S Aparicio
Journal of Molecular Liquids 213, 201-212, 2016
362016
Density functional theory study of the optical and electronic properties of oligomers based on phenyl-ethynyl units linked to triazole, thiadiazole, and oxadiazole rings to be …
A Garzón, JM Granadino-Roldán, M Moral, G García, ...
The Journal of chemical physics 132 (6), 2010
362010
Insights into choline chloride–phenylacetic acid deep eutectic solvent for CO 2 absorption
T Altamash, M Atilhan, A Aliyan, R Ullah, G García, S Aparicio
RSC advances 6 (110), 109201-109210, 2016
352016
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