Lista de obras - Patricia A Hunt - Dominio Público Uruguay

(Invited) Understanding Transport Properties of Ionic Liquids By Targeted Modifications of Ion Structures

artículo científico publicado en 2022

A physicochemical investigation of ionic liquid mixtures.

artículo científico publicado en 2014

A step towards the a priori design of ionic liquids

article by Heiko Niedermeyer et al published 2013 in Physical Chemistry Chemical Physics

A structural investigation of ionic liquid mixtures

artículo científico publicado en 2016

An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene

artículo científico publicado en 2015

Anion and ether group influence in protic guanidinium ionic liquids

artículo científico publicado en 2023

Atomic charges of sulfur in ionic liquids: experiments and calculations ⬇️

artículo científico publicado en 2017

Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts

artículo científico publicado en 2016

Back matter

Base-induced reversible H2 addition to a single Sn(ii) centre

scientific article published on 18 September 2018

Bi(III) halometallate ionic liquids: Interactions and speciation

artículo científico publicado en 2021

Bypassing a highly unstable frustrated Lewis pair: dihydrogen cleavage by a thermally robust silylium-phosphine adduct.

artículo científico publicado en 2014

Characterising the Electronic Structure of Ionic Liquids: An Examination of the 1-Butyl-3-Methylimidazolium Chloride Ion Pair

article by Patricia A. Hunt et al published 6 September 2006 in Chemistry—A European Journal

Charge transfer and polarisability in ionic liquids: a case study

artículo científico publicado en 2022

Competitive pi interactions and hydrogen bonding within imidazolium ionic liquids

Conformational design concepts for anions in ionic liquids

artículo científico publicado en 2020

Cooperativity in ionic liquids

Curled cation structures accelerate the dynamics of ionic liquids

artículo científico publicado en 2021

Dihydroazulene/vinylheptafulvene photochromism: a model for one-way photochemistry via a conical intersection

artículo científico publicado en 2002

Doubly ionic hydrogen bond interactions within the choline chloride-urea deep eutectic solvent

artículo científico publicado en 2016

Electron spectroscopy of ionic liquids: experimental identification of atomic orbital contributions to valence electronic structure

scientific article published on 01 September 2019

Ether functionalisation, ion conformation and the optimisation of macroscopic properties in ionic liquids

artículo científico publicado en 2020

Evaluating excited state atomic polarizabilities of chromophores.

artículo científico publicado en 2018

Experimental validation of calculated atomic charges in ionic liquids ⬇️

artículo científico publicado en 2018

Guanidinium solvents with exceptional hydrogen bond donating abilities

artículo científico publicado en 2022

Heavier Group 2 Metals and Intermolecular Hydroamination: A Computational and Synthetic Assessment

artículo científico publicado en 2009

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

Hydrogen bonding and π-π interactions in imidazolium-chloride ionic liquid clusters

artículo científico publicado en 2015

Hydrogen bonding in ionic liquids

artículo científico publicado en 2015

Hydrophosphination of Styrene and Polymerization of Vinylpyridine: A Computational Investigation of Calcium-Catalyzed Reactions and the Role of Fluxional Noncovalent Interactions ⬇️

artículo científico publicado en 2016

Intramolecular electron transfer in bis(methylene) adamantyl radical cation: a case study of diabatic trapping

artículo científico publicado en 2005

Ionic liquids: not always innocent solvents for cellulose ⬇️

artículo científico publicado en 2015

Jahn-Teller Distortions in Molecules Containing Group 15 Elements

1998 doctoral thesis by Patricia Anne Hunt at University of Auckland

Lewis and Brønsted multifunctionality: an unusual heterocycle from the reaction of bis(pentafluorophenyl)borinic acid with nitriles.

artículo científico publicado en 2006

Linking electronic and molecular structure: insight into aqueous chloride solvation

artículo científico publicado en 2013

Linking the structures, free volumes, and properties of ionic liquid mixtures.

artículo científico publicado en 2017

Mixtures of ionic liquids

artículo científico publicado en 2012

Molecular Structure and Dynamics

Molecular features contributing to the lower viscosity of phosphonium ionic liquids compared to their ammonium analogues

scientific article published on 17 July 2015

NEXAFS spectroscopy of ionic liquids: experiments versus calculations ⬇️

artículo científico publicado en 2017

Non-Adiabatic Direct Dynamics Study of Chromium Hexacarbonyl Photodissociation ⬇️

artículo científico publicado en 2002

Nonadiabatic Dynamics: A Comparison of Surface Hopping Direct Dynamics with Quantum Wavepacket Calculations ⬇️

artículo científico publicado en 2003

Noncovalent Interactions in Catalysis ⬇️

On the position of the highest occupied molecular orbital in aqueous solutions of simple ions

scientific article published on 01 September 2005

Organolanthanide mediated catalytic cycles: a computational perspective

artículo científico publicado en 2007

Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics

Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids

artículo científico publicado en 2017

Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids

artículo científico publicado en 2017

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states ⬇️

artículo científico publicado en 2022

Salts dissolved in salts: ionic liquid mixtures

Separation and concentration of CO2 from air using a humidity-driven molten-carbonate membrane ⬇️

artículo científico publicado en 2024

Solubility of alkali metal halides in the ionic liquid [C4C1im][OTf].

artículo científico publicado en 2016

Stictamycin, an Aromatic Polyketide Antibiotic Isolated from a New Zealand Lichen-Sourced Streptomyces Species

artículo científico publicado en 2023

Structural and Dynamic Properties of the New Alternative Refrigerant 2,3,3,3-Tetrafluoro-1-propene (HFO-1234yf) in the Liquid State ⬇️

artículo científico publicado el 7 de diciembre de 2010

Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methods.

artículo científico publicado en 2006

Structure and dynamics of ionic liquids: general discussion

artículo científico publicado en 2017

Surface Enrichment in Equimolar Mixtures of Non-Functionalized and Functionalized Imidazolium-Based Ionic Liquids.

artículo científico publicado en 2018

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

artículo científico publicado en 2015

Synthesis and characterisation of luminescent fluorinated organoboron compounds

artículo científico publicado en 2007

Systematic control of photochemistry: the dynamics of photoisomerization of a model cyanine dye.

artículo científico publicado en 2005

The Structure of Imidazolium-Based Ionic Liquids: Insights From Ion-Pair Interactions ⬇️

artículo científico publicado en 2007

The impact of anion electronic structure: similarities and differences in imidazolium based ionic liquids

artículo científico publicado en 2014

The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes.

artículo científico publicado en 2017

The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids

The simulation of imidazolium-based ionic liquids† ⬇️

artículo científico publicado en 2006

Thermal decomposition of carboxylate ionic liquids: trends and mechanisms

artículo científico publicado en 2013

Thermal versus electronic broadening in the density of states of liquid water ⬇️

artículo científico publicado en 2003

Trends in Inversion Barriers of Group 15 Compounds. 3. Are Fluorinated Pyridone Derivatives Planar or Nonplanar?

artículo científico publicado en 1997

Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines

scientific article published in 2000

Understanding siloxane functionalised ionic liquids

artículo científico publicado en 2010

Understanding the polarity of ionic liquids

scientific article published on 22 August 2011

Unravelling ionic liquid solvent effects for a non-polar Cope rearrangement reaction

artículo científico publicado en 2024

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.

artículo científico publicado en 2015

Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

artículo científico publicado en 2008

Why does a reduction in hydrogen bonding lead to an increase in viscosity for the 1-butyl-2,3-dimethyl-imidazolium-based ionic liquids?

artículo científico publicado en 2007

Lista de obras de Patricia A Hunt

(Invited) Understanding Transport Properties of Ionic Liquids By Targeted Modifications of Ion Structures

A physicochemical investigation of ionic liquid mixtures.

A step towards the a priori design of ionic liquids

A structural investigation of ionic liquid mixtures

An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene

Anion and ether group influence in protic guanidinium ionic liquids

Atomic charges of sulfur in ionic liquids: experiments and calculations ⬇️

Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts

Back matter

Base-induced reversible H2 addition to a single Sn(ii) centre

Bi(III) halometallate ionic liquids: Interactions and speciation

Bypassing a highly unstable frustrated Lewis pair: dihydrogen cleavage by a thermally robust silylium-phosphine adduct.

Characterising the Electronic Structure of Ionic Liquids: An Examination of the 1-Butyl-3-Methylimidazolium Chloride Ion Pair

Charge transfer and polarisability in ionic liquids: a case study

Competitive pi interactions and hydrogen bonding within imidazolium ionic liquids

Conformational design concepts for anions in ionic liquids

Cooperativity in ionic liquids

Curled cation structures accelerate the dynamics of ionic liquids

Dihydroazulene/vinylheptafulvene photochromism: a model for one-way photochemistry via a conical intersection

Doubly ionic hydrogen bond interactions within the choline chloride-urea deep eutectic solvent

Electron spectroscopy of ionic liquids: experimental identification of atomic orbital contributions to valence electronic structure

Ether functionalisation, ion conformation and the optimisation of macroscopic properties in ionic liquids

Evaluating excited state atomic polarizabilities of chromophores.

Experimental validation of calculated atomic charges in ionic liquids ⬇️

Guanidinium solvents with exceptional hydrogen bond donating abilities

Heavier Group 2 Metals and Intermolecular Hydroamination: A Computational and Synthetic Assessment

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

Hydrogen bonding and π-π interactions in imidazolium-chloride ionic liquid clusters

Hydrogen bonding in ionic liquids

Hydrophosphination of Styrene and Polymerization of Vinylpyridine: A Computational Investigation of Calcium-Catalyzed Reactions and the Role of Fluxional Noncovalent Interactions ⬇️

Intramolecular electron transfer in bis(methylene) adamantyl radical cation: a case study of diabatic trapping

Ionic liquids: not always innocent solvents for cellulose ⬇️

Jahn-Teller Distortions in Molecules Containing Group 15 Elements

Lewis and Brønsted multifunctionality: an unusual heterocycle from the reaction of bis(pentafluorophenyl)borinic acid with nitriles.

Linking electronic and molecular structure: insight into aqueous chloride solvation

Linking the structures, free volumes, and properties of ionic liquid mixtures.

Mixtures of ionic liquids

Molecular Structure and Dynamics

Molecular features contributing to the lower viscosity of phosphonium ionic liquids compared to their ammonium analogues

NEXAFS spectroscopy of ionic liquids: experiments versus calculations ⬇️

Non-Adiabatic Direct Dynamics Study of Chromium Hexacarbonyl Photodissociation ⬇️

Nonadiabatic Dynamics: A Comparison of Surface Hopping Direct Dynamics with Quantum Wavepacket Calculations ⬇️

Noncovalent Interactions in Catalysis ⬇️

On the position of the highest occupied molecular orbital in aqueous solutions of simple ions

Organolanthanide mediated catalytic cycles: a computational perspective

Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics

Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids

Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states ⬇️

Salts dissolved in salts: ionic liquid mixtures

Separation and concentration of CO2 from air using a humidity-driven molten-carbonate membrane ⬇️

Solubility of alkali metal halides in the ionic liquid [C4C1im][OTf].

Stictamycin, an Aromatic Polyketide Antibiotic Isolated from a New Zealand Lichen-Sourced Streptomyces Species

Structural and Dynamic Properties of the New Alternative Refrigerant 2,3,3,3-Tetrafluoro-1-propene (HFO-1234yf) in the Liquid State ⬇️

Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methods.

Structure and dynamics of ionic liquids: general discussion

Surface Enrichment in Equimolar Mixtures of Non-Functionalized and Functionalized Imidazolium-Based Ionic Liquids.

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

Synthesis and characterisation of luminescent fluorinated organoboron compounds

Systematic control of photochemistry: the dynamics of photoisomerization of a model cyanine dye.

The Structure of Imidazolium-Based Ionic Liquids: Insights From Ion-Pair Interactions ⬇️

The impact of anion electronic structure: similarities and differences in imidazolium based ionic liquids

The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes.

The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids

The simulation of imidazolium-based ionic liquids† ⬇️

Thermal decomposition of carboxylate ionic liquids: trends and mechanisms

Thermal versus electronic broadening in the density of states of liquid water ⬇️

Trends in Inversion Barriers of Group 15 Compounds. 3. Are Fluorinated Pyridone Derivatives Planar or Nonplanar?

Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines

Understanding siloxane functionalised ionic liquids

Understanding the polarity of ionic liquids

Unravelling ionic liquid solvent effects for a non-polar Cope rearrangement reaction

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.

Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

Why does a reduction in hydrogen bonding lead to an increase in viscosity for the 1-butyl-2,3-dimethyl-imidazolium-based ionic liquids?