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Lista de obras de Ekaterina I Izgorodina

A Hybrid Anion for Ionic Liquid and Battery Electrolyte Applications: Half Triflamide, Half Carbonate

artículo científico publicado en 2019

A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid Clusters

scientific article published on 14 September 2020

A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials

artículo científico publicado en 2011

Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride

Addition-Fragmentation Kinetics of Fluorodithioformates (F-RAFT) in Styrene, Vinyl Acetate, and Ethylene Polymerization: An Ab Initio Investigation

article

Aluminium Speciation in 1-Butyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide/AlCl3Mixtures

artículo científico publicado en 2009

Anisotropic Thermal and Guest-Induced Responses of an Ultramicroporous Framework with Rigid Linkers

artículo científico publicado en 2018

Bulk properties of aqueous graphene oxide and reduced graphene oxide with surfactants and polymers: adsorption and stability

artículo científico publicado en 2018

Comprehensive Vibrational Spectroscopic Investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) Diazido Anticancer Prodrug Candidate

artículo científico publicado en 2016

Computational Studies of RAFT Polymerization–Mechanistic Insights and Practical Applications

Diamino protic ionic liquids for CO2 capture.

artículo científico publicado en 2013

Electrochemistry at Negative Potentials in Bis(trifluoromethanesulfonyl)amide Ionic Liquids

article by Patrick C. Howlett et al published October 2006 in Zeitschrift fuer Physikalische Chemie

Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules

artículo científico publicado en 2007

Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties

scholarly article in RSC Advances, vol. 3 no. 41, 2013

Front Cover: Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans -[Pt(N3 )2 (OH)2 (py)2 ] (Chem. Eur. J. 22/2018)

artículo científico publicado en 2018

Homoleptic 12-coordinate lanthanoids with η2-nitroso ligands

scientific article published on 27 February 2007

Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data

artículo científico publicado en 2022

Ionic liquids in electrochemical devices and processes: managing interfacial electrochemistry

artículo científico publicado en 2007

Liquids intermediate between “molecular” and “ionic” liquids: Liquid Ion Pairs?

scientific article published on 01 October 2007

Mechanisms of low temperature capture and regeneration of CO2 using diamino protic ionic liquids

artículo científico publicado en 2015

On the components of the dielectric constants of ionic liquids: ionic polarization?

artículo científico publicado en 2009

On the concept of ionicity in ionic liquids

artículo científico publicado en 2009

Photo- and solvatochromic properties of nitrobenzospiropyran in ionic liquids containing the [NTf2]- anion

artículo científico publicado en 2008

Physical Absorption Of CO2 in Protic and Aprotic Ionic Liquids: An Interaction Perspective.

artículo científico publicado en 2015

Predicting Entropic Effects of Water Mixing with Ionic Liquids Containing Anions of Strong Hydrogen Bonding Ability: Role of the Cation

scientific article published on 02 October 2020

Prediction of lattice energy of benzene crystals: A robust theoretical approach

scientific article published on 24 November 2020

Quantum Chemical Mapping of Initialization Processes in RAFT Polymerization

Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids

artículo científico publicado en 2017

Radical Addition to Thioketones:  Computer-Aided Design of Spin Traps for Controlling Free-Radical Polymerization

artículo científico publicado en 2006

Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?

artículo científico publicado en 2007

Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans -[Pt(N3 )2 (OH)2 (py)2 ]

artículo científico publicado en 2018

Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans-[Pt(N3)2(OH)2(py)2].

artículo científico publicado en 2018

The Madelung Constant of Organic Salts

artículo científico publicado en 2009

The Supramolecular Architecture of Arene Complexes of Bis(polyfluorophenyl)mercurials

artículo científico publicado en 2008

The effect of descriptor choice in machine learning models for ionic liquid melting point prediction

artículo científico publicado en 2020

Theoretical and experimental insights into the mechanism of the nucleophilic addition of water and methanol to dicyanonitrosomethanide

artículo científico publicado en 2010

Towards a Better Understanding of 'Delocalized Charge' in Ionic Liquid Anions

Trends in R−X Bond Dissociation Energies (R = Me, Et,i-Pr,t-Bu; X = H, CH3, OCH3, OH, F): A Surprising Shortcoming of Density Functional Theory

artículo científico publicado en 2005

Trends in Two- and Three-Body Effects in Multiscale Clusters of Ionic Liquids

artículo científico publicado en 2016