Publications by authors named "Carlos Pinilla"

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Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts.
Nicola Seriani, Paola Delcompare-Rodriguez, Dhanshree Pandey, Abhishek Kumar Adak, Vikram Mahamiya, Carlos Pinilla

Materials (Basel)· July 2024

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Understanding noble gas incorporation in mantle minerals: an atomistic study.
Alfredo Lora, Paola Patron, Alin M Elena, Neil L Allan, Carlos Pinilla

Sci Rep· June 2024

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Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water.
Amin Alibakhshi, Julien Steffen, Carlos Pinilla, Bernd Hartke

J Phys Chem A· March 2023

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High energy density mixed polymeric phase from carbon monoxide and nitrogen.
Zamaan Raza, Chris J Pickard, Carlos Pinilla, A Marco Saitta

Phys Rev Lett· December 2013

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Ab initio parameterization of an all-atom polarizable and dissociable force field for water.
Carlos Pinilla, Amir H Irani, Nicola Seriani, Sandro Scandolo

J Chem Phys· March 2012

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Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.
Jorge Kohanoff, Carlos Pinilla, Tristan G A Youngs, Emilio Artacho, José M Soler

J Chem Phys· October 2011

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Simulations of ionic liquids, solutions, and surfaces.
Ruth M Lynden-Bell, Mario G Del Pópolo, Tristan G A Youngs, Jorge Kohanoff, Christof G Hanke, Carlos C Pinilla

Acc Chem Res· November 2007

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Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations.
Mario G Del Pópolo, Jorge Kohanoff, Ruth M Lynden-Bell, Carlos Pinilla

Acc Chem Res· November 2007

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Polarization relaxation in an ionic liquid confined between electrified walls.
Carlos Pinilla, M G Del Pópolo, Jorge Kohanoff, R M Lynden-Bell

J Phys Chem B· May 2007

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Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells.
Carlos Pinilla, Mario G Del Pópolo, Ruth M Lynden-Bell, Jorge Kohanoff

J Phys Chem B· September 2005

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