Agilio Padua

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Jose Nuno Canongia LopesCentro de Química Estrutural, Instituto Superior Técnico, Universidade de LisboaVerified email at tecnico.ulisboa.pt
Margarida Costa GomesCNRS Research Professor of Physical ChemistryVerified email at uca.fr
Johan JacqueminMSN Department - UM6PVerified email at um6p.ma
Karina ShimizuCentro de Química Estrutural, IMS, Instituto Superior Técnico, Universidade de LisboaVerified email at tecnico.ulisboa.pt
Luís Paulo RebeloProfessor of Structural ChemistryVerified email at itqb.unl.pt
María José Pérez ComuñasUniversidade de Santiago de CompostelaVerified email at usc.es
Kateryna GolovizninaSorbonne UniversitéVerified email at sorbonne-universite.fr
Christopher HardacreUniversity of ManchesterVerified email at manchester.ac.uk
Emilie BordesIFP Energies NouvellesVerified email at ifpen.fr
HUSSON PascaleUniversité Blaise Pascal / CNRS UMR 6296Verified email at univ-bpclermont.fr
Barbara KirchnerProfessor of Theoretical Chemistry, University of BonnVerified email at thch.uni-bonn.de
Josefa FernándezProfessor of University of Santiago de CompostelaVerified email at usc.es
J. FareleiraCentro de Química Estrutural, Instituto Superior Técnico, Universidade de LisboaVerified email at ist.utl.pt
Laure Pison - PacynskiIngénieure d'étude, LMV UCAVerified email at uca.fr
William WakehamVisiting Professor, Imperial College LondonVerified email at soton.ac.uk
Paul NancarrowProfessor of Chemical Engineering, American University of Sharjah, UAEVerified email at aus.edu
Kenta FujiiYamaguchi UniversityVerified email at yamaguchi-u.ac.jp
Jean-Michel AndansonInstitut de Chimie de Clermont-Ferrand, Université Clermont Auvergne, Clermont-Ferrand, FranceVerified email at uca.fr
Vishnu SreshtGenentechVerified email at gene.com
Carlos Nieto de CastroProfessor of Thermodynamic and Transport Processes of Fluids and Materials, Faculdade de CiênciasVerified email at ciencias.ulisboa.pt

Agilio Padua

ENS de Lyon, Institut Universitaire de France (honorary member)

Verified email at ens-lyon.fr - Homepage

physical chemistry thermodynamics molecular simulation molecular interactions ionic liquids


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Nanostructural organization in ionic liquids JNA Canongia Lopes, AAH Pádua The Journal of Physical Chemistry B 110 (7), 3330-3335, 2006	1983	2006
Modeling ionic liquids using a systematic all-atom force field JN Canongia Lopes, J Deschamps, AAH Pádua The journal of physical chemistry B 108 (6), 2038-2047, 2004	1438	2004
Molecular force field for ionic liquids composed of triflate or bistriflylimide anions JN Canongia Lopes, AAH Pádua The Journal of Physical Chemistry B 108 (43), 16893-16898, 2004	986	2004
Density and viscosity of several pure and water-saturated ionic liquids J Jacquemin, P Husson, AAH Padua, V Majer Green Chemistry 8 (2), 172-180, 2006	946	2006
Molecular force field for ionic liquids III: Imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions JN Canongia Lopes, AAH Pádua The Journal of Physical Chemistry B 110 (39), 19586-19592, 2006	556	2006
Nonpolar, polar, and associating solutes in ionic liquids JN Canongia Lopes, MF Costa Gomes, AAH Pádua The Journal of Physical Chemistry B 110 (34), 16816-16818, 2006	532	2006
Molecular solutes in ionic liquids: a structural perspective AAH Padua, MF Costa Gomes, JNA Canongia Lopes Accounts of chemical research 40 (11), 1087-1096, 2007	505	2007
CL&P: A generic and systematic force field for ionic liquids modeling JN Canongia Lopes, AAH Pádua Theoretical Chemistry Accounts 131, 1-11, 2012	341	2012
Molecular force field for ionic liquids IV: Trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions JN Canongia Lopes, AAH Pádua, K Shimizu The Journal of Physical Chemistry B 112 (16), 5039-5046, 2008	311	2008
Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water–a computational study V Loukonen, T Kurtén, IK Ortega, H Vehkamäki, AAH Padua, K Sellegri, ... Atmospheric Chemistry and Physics 10 (10), 4961-4974, 2010	272	2010
Prediction of ionic liquid properties. I. Volumetric properties as a function of temperature at 0.1 MPa J Jacquemin, R Ge, P Nancarrow, DW Rooney, MF Costa Gomes, ... Journal of Chemical & Engineering Data 53 (3), 716-726, 2008	268	2008
Understanding the role of co-solvents in the dissolution of cellulose in ionic liquids JM Andanson, E Bordes, J Devémy, F Leroux, AAH Pádua, MFC Gomes Green Chemistry 16 (5), 2528-2538, 2014	262	2014
Improvement of quality in publication of experimental thermophysical property data: Challenges, assessment tools, global implementation, and online support RD Chirico, M Frenkel, JW Magee, V Diky, CD Muzny, AF Kazakov, ... Journal of Chemical & Engineering Data 58 (10), 2699-2716, 2013	241	2013
Liquid structure of the ionic liquid 1, 3-dimethylimidazolium bis {(trifluoromethyl) sulfonyl} amide M Deetlefs, C Hardacre, M Nieuwenhuyzen, AAH Padua, O Sheppard, ... The Journal of Physical Chemistry B 110 (24), 12055-12061, 2006	241	2006
Liquid-phase exfoliation of phosphorene: design rules from molecular dynamics simulations V Sresht, AAH Padua, D Blankschtein ACS nano 9 (8), 8255-8268, 2015	176	2015
Solvation and stabilization of metallic nanoparticles in ionic liquids AS Pensado, AAH Pádua Angewandte Chemie International Edition 50 (37), 8683-8687, 2011	176	2011
Polarity, Viscosity, and Ionic Conductivity of Liquid Mixtures Containing [C₄C₁im][Ntf₂] and a Molecular Component JN Canongia Lopes, MF Costa Gomes, P Husson, AAH Pádua, ... The Journal of Physical Chemistry B 115 (19), 6088-6099, 2011	173	2011
Effect of fluorination and size of the alkyl side-chain on the solubility of carbon dioxide in 1-alkyl-3-methylimidazolium bis (trifluoromethylsulfonyl) amide ionic liquids D Almantariotis, T Gefflaut, AAH Padua, JY Coxam, MF Costa Gomes The Journal of Physical Chemistry B 114 (10), 3608-3617, 2010	172	2010
Prediction of ionic liquid properties. II. Volumetric properties as a function of temperature and pressure J Jacquemin, P Nancarrow, DW Rooney, MF Costa Gomes, P Husson, ... Journal of Chemical & Engineering Data 53 (9), 2133-2143, 2008	165	2008
Organized 3D-alkyl imidazolium ionic liquids could be used to control the size of in situ generated ruthenium nanoparticles? T Gutel, CC Santini, K Philippot, A Padua, K Pelzer, B Chaudret, ... Journal of Materials Chemistry 19 (22), 3624-3631, 2009	158	2009

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