Quantum chemical studies on nanostructures of the hydrated methylimidazolium–based ionic liquids

Efficient fatty acid esterification using silica supported Brønsted acidic ionic liquid catalyst: Experimental study and DFT modeling

(2014) Majid Vafaeezadeh et al.   CHEMICAL ENGINEERING JOURNAL

Ionic Liquids at Electrified Interfaces

(2014) Maxim V. Fedorov et al.   CHEMICAL REVIEWS

Synthesis and Characterization of Functionalized Ionic Liquids for Thermal Storage

(2014) Zhan Zhang et al.   ENERGY & FUELS

A DFT study of the domino reactions between imidazole NHC, ketenimines and DMAD or MP acetylene derivatives yielding spiro-pyrroles

(2014) M’hamed Esseffar et al.   Computational and Theoretical Chemistry

Relationship between stabilization energy and thermophysical properties of different imidazolium ionic liquids: DFT studies

(2013) Madhulata Shukla et al.   Computational and Theoretical Chemistry

DFT study on the ground state and excited state intramolecular proton transfer of propargyl arm containing Schiff bases in solution and gas phases

(2013) B. Annaraj et al.   Computational and Theoretical Chemistry

Solvent nanostructure, the solvophobic effect and amphiphile self-assembly in ionic liquids

(2012) Tamar L. Greaves et al.   CHEMICAL SOCIETY REVIEWS

Ion-pairs formed in [Mim+][N(CN)2−] ionic liquid: Structures, binding energies, NMR SSCCs, volumetric, thermodynamic and topological properties

(2012) Hossein Roohi et al.   JOURNAL OF MOLECULAR LIQUIDS

Theoretical and experimental investigation of the interactions between [emim]Ac and water molecules

(2012) Zhen-Dong Ding et al.   JOURNAL OF MOLECULAR STRUCTURE

Ionic liquids and microwave irradiation as synergistic combination for polar Diels–Alder reactions using properly substituted heterocycles as dienophiles. A DFT study related

(2012) Pedro M.E. Mancini et al.   TETRAHEDRON LETTERS

From Molten Salts to Ionic Liquids: A “Nano” Journey

(2011) Jairton Dupont   ACCOUNTS OF CHEMICAL RESEARCH

Ionic Liquids: Structure and Photochemical Reactions

(2011) Edward W. Castner et al.   Annual Review of Physical Chemistry

Proton transfer from H2O to p-substituted anilide anion: can the size of water cluster influence the N-⋅⋅⋅H–OH→N–H⋅⋅⋅OH- switching

(2011) Hossein Roohi et al.   JOURNAL OF MOLECULAR MODELING

Evaluation of Cation−Anion Interaction Strength in Ionic Liquids

(2011) Ana M. Fernandes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mesoscopic Structural Heterogeneities in Room-Temperature Ionic Liquids

(2011) Olga Russina et al.   Journal of Physical Chemistry Letters

Characterization of pentacarbonyl(4-methylpyridine)chromium(0) complex using density functional theory (DFT) and Hartree–Fock (HF) computational methods

(2011) İzzet Amour Morkan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vaporization enthalpy and cluster species in gas phase of 1,1,3,3-tetramethylguanidinium-based ionic liquids from computer simulations

(2010) Guangren Yu et al.   AICHE JOURNAL

Theoretical study on the structure–reactivity relationships of acetylacetone–Fe catalyst modified by ionic compound in C–H activation reaction

(2010) Xingbang Hu et al.   JOURNAL OF CATALYSIS

An insight into microscopic properties of aprotic ionic liquids: A DFT study

(2010) Ali Heidar Pakiari et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DFT study on the structure and cation–anion interaction of amino acid ionic liquid of [C3mim]+[Glu]−

(2010) Ying Zhang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Group contribution methods for the prediction of thermophysical and transport properties of ionic liquids

(2009) Ramesh L. Gardas et al.   AICHE JOURNAL

Interaction of water diluted in 1-butyl-3-methyl imidazolium ionic liquids by vibrational spectroscopy modeling

(2009) Y. Danten et al.   JOURNAL OF MOLECULAR LIQUIDS

Study on the relationship between the interaction energy and the melting point of amino acid cation based ionic liquids

(2009) Wei Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Ionic Liquids in Heterocyclic Synthesis

(2008) Marcos A. P. Martins et al.   CHEMICAL REVIEWS

Electrochemical Reactivity in Room-Temperature Ionic Liquids

(2008) Philippe Hapiot et al.   CHEMICAL REVIEWS

Theoretical investigation of interactions between glycine cation based ionic liquids and water molecules

(2008) Wei Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding Ionic Liquids at the Molecular Level: Facts, Problems, and Controversies

(2007) Hermann Weingärtner   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION