On Ion and Molecular Polarization of Halides in Water
Guàrdia, Elvira, Skarmoutsos, Ioannis, Masia, Marco
Published in Journal of chemical theory and computation (09.06.2009)
Published in Journal of chemical theory and computation (09.06.2009)
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A comparative molecular dynamics study of sulfuric and methanesulfonic acids
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Hydrogen Bond Structure and Dynamics in Aqueous Electrolytes at Ambient and Supercritical Conditions
Guàrdia, Elvira, Laria, Daniel, Martí, Jordi
Published in The journal of physical chemistry. B (30.03.2006)
Published in The journal of physical chemistry. B (30.03.2006)
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A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions
Guàrdia, Elvira, Martí, Jordi, García-Tarrés, Lino, Laria, Daniel
Published in Journal of molecular liquids (15.03.2005)
Published in Journal of molecular liquids (15.03.2005)
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Water-water and ion-water hydrogen bonding in sulfuric acid solutions
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Protons in Supercritical Water: A Multistate Empirical Valence Bond Study
Laria, Daniel, Martí, Jordi, Guàrdia, Elvira
Published in Journal of the American Chemical Society (25.02.2004)
Published in Journal of the American Chemical Society (25.02.2004)
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Structural and dipolar fluctuations in liquid water: A Car–Parrinello molecular dynamics study
Skarmoutsos, Ioannis, Masia, Marco, Guardia, Elvira
Published in Chemical physics letters (16.03.2016)
Published in Chemical physics letters (16.03.2016)
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Structure and dynamics of water plastic crystals from computer simulations
Henao, Andrés, Salazar-Rios, Jorge Mario, Guardia, Elvira, Pardo, Luis C
Published in The Journal of chemical physics (14.03.2021)
Published in The Journal of chemical physics (14.03.2021)
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The polarizable point dipoles method with electrostatic damping: implementation on a model system
Sala, Jonàs, Guàrdia, Elvira, Masia, Marco
Published in The Journal of chemical physics (21.12.2010)
Published in The Journal of chemical physics (21.12.2010)
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Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water
Skarmoutsos, Ioannis, Guardia, Elvira, Samios, Jannis
Published in The Journal of supercritical fluids (01.12.2017)
Published in The Journal of supercritical fluids (01.12.2017)
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The structure of liquid water beyond the first hydration shell
Henao, Andrés, Busch, Sebastian, Guàrdia, Elvira, Tamarit, Josep Lluis, Pardo, Luis Carlos
Published in Physical chemistry chemical physics : PCCP (28.07.2016)
Published in Physical chemistry chemical physics : PCCP (28.07.2016)
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On the microscopic origin of the cryoprotective effect in lysine solutions
Henao, Andrés, Ruiz, Guadalupe N, Steinke, Nicola, Cerveny, Silvina, Macovez, Roberto, Guàrdia, Elvira, Busch, Sebastian, McLain, Sylvia E, Lorenz, Christian D, Pardo, Luis Carlos
Published in Physical chemistry chemical physics : PCCP (07.04.2020)
Published in Physical chemistry chemical physics : PCCP (07.04.2020)
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On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility
Henao, Andres, Johnston, Andrew J, Guàrdia, Elvira, McLain, Sylvia E, Pardo, Luis Carlos
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives
Masia, Marco, Guàrdia, Elvira, Nicolini, Paolo
Published in International journal of quantum chemistry (15.08.2014)
Published in International journal of quantum chemistry (15.08.2014)
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