Follow
Carlos Pinilla
Title
Cited by
Cited by
Year
Simulations of ionic liquids, solutions, and surfaces
RM Lynden-Bell, MG Del Popolo, TGA Youngs, J Kohanoff, CG Hanke, ...
Accounts of chemical research 40 (11), 1138-1145, 2007
3002007
Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells
C Pinilla, MG Del Pópolo, RM Lynden-Bell, J Kohanoff
The Journal of Physical Chemistry B 109 (38), 17922-17927, 2005
2422005
Polarization relaxation in an ionic liquid confined between electrified walls
C Pinilla, MG Del Pópolo, J Kohanoff, RM Lynden-Bell
The Journal of Physical Chemistry B 111 (18), 4877-4884, 2007
1652007
Presence of Gap States at Cu/TiO2 Anatase Surfaces: Consequences for the Photocatalytic Activity
N Seriani, C Pinilla, Y Crespo
The Journal of Physical Chemistry C 119 (12), 6696-6702, 2015
842015
High energy density mixed polymeric phase from carbon monoxide and nitrogen
Z Raza, CJ Pickard, C Pinilla, AM Saitta
Physical Review Letters 111 (23), 235501, 2013
682013
Equilibrium magnesium isotope fractionation between aqueous Mg2+ and carbonate minerals: Insights from path integral molecular dynamics
C Pinilla, M Blanchard, E Balan, SK Natarajan, R Vuilleumier, F Mauri
Geochimica et Cosmochimica Acta 163, 126-139, 2015
672015
Neutral and charged 1-butyl-3-methylimidazolium triflate clusters: equilibrium concentration in the vapor phase and thermal properties of nanometric droplets
P Ballone, C Pinilla, J Kohanoff, MG Del Pópolo
The Journal of Physical Chemistry B 111 (18), 4938-4950, 2007
672007
Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations
MG Del Popolo, J Kohanoff, RM Lynden-Bell, C Pinilla
Accounts of chemical research 40 (11), 1156-1164, 2007
442007
First-principles modeling of sulfate incorporation and 34S/32S isotopic fractionation in different calcium carbonates
E Balan, M Blanchard, C Pinilla, M Lazzeri
Chemical Geology 374, 84-91, 2014
362014
Titania–silica interfaces
N Seriani, C Pinilla, S Cereda, A De Vita, S Scandolo
The Journal of Physical Chemistry C 116 (20), 11062-11067, 2012
362012
Infrared spectroscopic properties of goethite: anharmonic broadening, long-range electrostatic effects and Al substitution
M Blanchard, E Balan, P Giura, K Béneut, H Yi, G Morin, C Pinilla, ...
Physics and Chemistry of Minerals 41, 289-302, 2014
352014
Ab initio parameterization of an all-atom polarizable and dissociable force field for water
C Pinilla, AH Irani, N Seriani, S Scandolo
The Journal of chemical physics 136 (11), 2012
352012
Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics
C Pinilla, M Blanchard, E Balan, G Ferlat, R Vuilleumier, F Mauri
Geochimica et Cosmochimica Acta 135, 203-216, 2014
332014
Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional
J Kohanoff, C Pinilla, TGA Youngs, E Artacho, JM Soler
The Journal of chemical physics 135 (15), 2011
282011
Interfacial storage of noble gases and other trace elements in magmatic systems
C Pinilla, SA Davis, TB Scott, NL Allan, JD Blundy
Earth and Planetary Science Letters 319, 287-294, 2012
252012
Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts
MG Del Pópolo, C Pinilla, P Ballone
The Journal of chemical physics 126 (14), 2007
212007
First-principles calculation of iron and silicon isotope fractionation between Fe-bearing minerals at magmatic temperatures: The importance of second atomic neighbors
S Rabin, M Blanchard, C Pinilla, F Poitrasson, M Grégoire
Geochimica et Cosmochimica Acta 304, 101-118, 2021
202021
Large thermoelectric figure of merit in hexagonal phase of 2D selenium and tellurium
L Ramírez‐Montes, W López‐Pérez, R González‐Hernández, C Pinilla
International Journal of Quantum Chemistry 120 (17), e26267, 2020
202020
Omental vascularized lymph node flap: a radiographic analysis
JA Cook, SE Sasor, SS Tholpady, MW Chu
Journal of Reconstructive Microsurgery 34 (07), 472-477, 2018
122018
First-principles investigation of equilibrium iron isotope fractionation in Fe1− xSx alloys at Earth's core formation conditions
C Pinilla, A De Moya, S Rabin, G Morard, M Roskosz, M Blanchard
Earth and Planetary Science Letters 569, 117059, 2021
92021
The system can't perform the operation now. Try again later.
Articles 1–20