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Mapping of Functional Groups in Metal-Organic Frameworks

Science (American Association for the Advancement of Science), 2013-08, Vol.341 (6148), p.882-885

2013

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Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (3), p.1911-1917

2016

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Dicationic-Type Quaternary Ammonium Salts as Candidates of Desiccants for an Air-Conditioning System

ACS sustainable chemistry & engineering, 2021-11, Vol.9 (43), p.14502-14514

2021

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Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort

PCCP. Physical chemistry chemical physics (Print), 2013-03, Vol.15 (9), p.3264-3272

2013

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Infrared Spectroscopy of Li + Solvation in EmimBF 4 and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment

The journal of physical chemistry. B, 2022-11, Vol.126 (46), p.9643-9662

2022

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Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment

The journal of physical chemistry. B, 2023-10, Vol.127 (42), p.9191-9203

2023

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Infrared Spectroscopy of Li+ Solvation in EmimBF4 and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment

The journal of physical chemistry. B, 2022-11, Vol.126 (46), p.9643-9662

2022

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CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (2), p.1361-1368

2017

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CS2 capture in the ionic liquid 1-alkyl-3-methylimidazolium acetate: reaction mechanism and free energeticsElectronic supplementary information (ESI) available: Optimized structures of CS2/COS/CO2 and EMI carbene in the gas and continuum phases, optimized structures of the reactant, product, intermediate and transition states for the conversion of CS2/COS to COS/CO2 and their capture by EMI, comparison of SCRF results for COS-to-CO2 conversion in 1-pentanol and in ethanol, electric dipole moment

2018-07

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CS2 capture in the ionic liquid 1-alkyl-3-methylimidazolium acetate: reaction mechanism and free energetics

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (29), p.19339-19349

2018

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CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbeneElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06556b

2017-01

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CS 2 capture in the ionic liquid 1-alkyl-3-methylimidazolium acetate: reaction mechanism and free energetics

Physical chemistry chemical physics : PCCP, 2018-07, Vol.20 (29), p.19339-19349

2018

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CO 2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene

Physical chemistry chemical physics : PCCP, 2017-01, Vol.19 (2), p.1361-1368

2017

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Cation identity dependence of crown ether photonic crystal Pb²⁺ sensing

Analytical and bioanalytical chemistry, 2007-03, Vol.387 (6), p.2121-2130

2007

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Cation identity dependence of crown ether photonic crystal Pb sensing

Analytical and bioanalytical chemistry, 2007-03, Vol.387 (6), p.2121-2130

2007

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Atomistic simulations of liquid crystal mixtures of alkoxy substituted phenylpyrimidines 2PhP and PhP14

The Journal of chemical physics, 2012-03, Vol.136 (12), p.124506-124506-8

2012

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Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquidsElectronic supplementary information (ESI) available: Table of optimized geometries in the form of Gaussian archive entries. See DOI: 10.1039/c5cp05713b

2016-01

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Understanding the mechanism of CO 2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (3), p.1911-1917

2016

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Understanding the Mechanism of CO2 Capture by 1,3 Di-substituted Imidazolium Acetate Based Ionic Liquids

Physical chemistry chemical physics : PCCP, 2015-12, Vol.18 (3)

2015

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Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps

The journal of physical chemistry. B, 2014-11, Vol.118 (47), p.13609-13620

2014

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Computer simulations of linear rigid particles that form chiral superstructures and tilted smectic phases

Soft matter, 2009, Vol.5 (22), p.4477

2009

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An all atom computer simulation study of the liquid crystalline phase behaviour of alkenic fluoroterphenyls

Soft matter, 2011-01, Vol.7 (21), p.10266-10273

2011

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Self-assembled chiral superstructures composed of rigid achiral molecules and molecular scale chiral induction by dopants

Physical review letters, 2008-10, Vol.101 (15), p.157801-157801, Article 157801

2008

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Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps

The journal of physical chemistry. B, 2014-09, Vol.118 (47)

2014

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Study of the under actuated stair-climbing wheelchair

2017 2nd International Conference on Advanced Robotics and Mechatronics (ICARM), 2017, p.178-183

2017

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Mapping of Functional Groups in Metal-Organic Frameworks

Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Dicationic-Type Quaternary Ammonium Salts as Candidates of Desiccants for an Air-Conditioning System

Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort

Infrared Spectroscopy of Li + Solvation in EmimBF 4 and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment

Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment

Infrared Spectroscopy of Li+ Solvation in EmimBF4 and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment

CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene

CS2 capture in the ionic liquid 1-alkyl-3-methylimidazolium acetate: reaction mechanism and free energetics

CO2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbeneElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06556b

CS 2 capture in the ionic liquid 1-alkyl-3-methylimidazolium acetate: reaction mechanism and free energetics

CO 2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbene

Cation identity dependence of crown ether photonic crystal Pb²⁺ sensing

Cation identity dependence of crown ether photonic crystal Pb sensing

Atomistic simulations of liquid crystal mixtures of alkoxy substituted phenylpyrimidines 2PhP and PhP14

Understanding the mechanism of CO2 capture by 1,3 di-substituted imidazolium acetate based ionic liquidsElectronic supplementary information (ESI) available: Table of optimized geometries in the form of Gaussian archive entries. See DOI: 10.1039/c5cp05713b

Understanding the mechanism of CO 2 capture by 1,3 di-substituted imidazolium acetate based ionic liquids

Understanding the Mechanism of CO2 Capture by 1,3 Di-substituted Imidazolium Acetate Based Ionic Liquids

Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps

Computer simulations of linear rigid particles that form chiral superstructures and tilted smectic phases

An all atom computer simulation study of the liquid crystalline phase behaviour of alkenic fluoroterphenyls

Self-assembled chiral superstructures composed of rigid achiral molecules and molecular scale chiral induction by dopants

Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps

Study of the under actuated stair-climbing wheelchair

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