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Ekaterina I Izgorodina

Showing results (1-10 of 72) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 2, 2011
Towards large-scale, fully ab initio calculations of ionic liquidsEkaterina I Izgorodina
Journal of Chemical Theory and Computation|November 21, 2015
New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic SystemsJason Rigby, Ekaterina I Izgorodina
Physical Chemistry Chemical Physics : PCCP|June 27, 2017
Prediction of <sup>1</sup>H NMR chemical shifts for clusters of imidazolium-based ionic liquidsSu Chen, Ekaterina I Izgorodina
Physical Chemistry Chemical Physics : PCCP|December 19, 2012
Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquidsJason Rigby, Ekaterina I Izgorodina
Journal of Computational Chemistry|October 23, 2021
A DLPNO-CCSD(T) benchmarking study of intermolecular interactions of ionic liquidsZoe L Seeger, Ekaterina I Izgorodina
The Journal of Physical Chemistry. B|October 21, 2011
Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquidsEkaterina I Izgorodina, Douglas R MacFarlane
The Journal of Physical Chemistry. A|February 17, 2006
Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerizationEkaterina I Izgorodina, Michelle L Coote
Journal of Chemical Theory and Computation|September 1, 2020
A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid ClustersZoe L Seeger, Ekaterina I Izgorodina
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|September 7, 2012
The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compoundsPriscilla Johnston, Ekaterina I Izgorodina, Kei Saito
The Journal of Chemical Physics|September 16, 2020
The effect of descriptor choice in machine learning models for ionic liquid melting point predictionKaycee Low, Rika Kobayashi, Ekaterina I Izgorodina
Pageof 8

Showing results (1-10 of 72) with videos related to

Sort By:
Pageof 8
Physical Chemistry Chemical Physics : PCCP|February 2, 2011
Towards large-scale, fully ab initio calculations of ionic liquidsEkaterina I Izgorodina
Journal of Chemical Theory and Computation|November 21, 2015
New SCS- and SOS-MP2 Coefficients Fitted to Semi-Coulombic SystemsJason Rigby, Ekaterina I Izgorodina
Physical Chemistry Chemical Physics : PCCP|June 27, 2017
Prediction of <sup>1</sup>H NMR chemical shifts for clusters of imidazolium-based ionic liquidsSu Chen, Ekaterina I Izgorodina
Physical Chemistry Chemical Physics : PCCP|December 19, 2012
Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquidsJason Rigby, Ekaterina I Izgorodina
Journal of Computational Chemistry|October 23, 2021
A DLPNO-CCSD(T) benchmarking study of intermolecular interactions of ionic liquidsZoe L Seeger, Ekaterina I Izgorodina
The Journal of Physical Chemistry. B|October 21, 2011
Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquidsEkaterina I Izgorodina, Douglas R MacFarlane
The Journal of Physical Chemistry. A|February 17, 2006
Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerizationEkaterina I Izgorodina, Michelle L Coote
Journal of Chemical Theory and Computation|September 1, 2020
A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid ClustersZoe L Seeger, Ekaterina I Izgorodina
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|September 7, 2012
The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compoundsPriscilla Johnston, Ekaterina I Izgorodina, Kei Saito
The Journal of Chemical Physics|September 16, 2020
The effect of descriptor choice in machine learning models for ionic liquid melting point predictionKaycee Low, Rika Kobayashi, Ekaterina I Izgorodina
Pageof 8