Comment on “Mono- and multi-layer adsorption of an ionic liquid on Au(110)” by R. Foulston, S. Gangopadhyay, C. Chiutu, P. Moriarty and R. G. Jones, Phys. Chem. Chem. Phys., 2012,14, 6054–6066

2013 ◽  
Vol 15 (2) ◽  
pp. 696-697
Author(s):  
Mark D. Baker ◽  
A. David Baker
Keyword(s):  
Ionic Liquid ◽  
Chem Phys ◽  
Layer Adsorption ◽  
Phys Chem Chem Phys

scholarly journals Correction: Self-diffusion, velocity cross-correlation, distinct diffusion and resistance coefficients of the ionic liquid [BMIM][Tf2N] at high pressure

2021 ◽  
Author(s):  
Kenneth R. Harris ◽  
Mitsuhiro Kanakubo
Keyword(s):  
High Pressure ◽  
Ionic Liquid ◽  
Cross Correlation ◽  
Chem Phys ◽  
Diffusion Velocity ◽  
Self Diffusion ◽  
Resistance Coefficients ◽  
Phys Chem Chem Phys

Correction for ‘Self-diffusion, velocity cross-correlation, distinct diffusion and resistance coefficients of the ionic liquid [BMIM][Tf2N] at high pressure’ by Kenneth R. Harris et al., Phys. Chem. Chem. Phys., 2015, 17, 23977–23993, DOI: 10.1039/C5CP04277A.

scholarly journals Correction: Comment on “Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the “Wrong” direction?” by M. Gouverneur, F. Schmidt and M. Schönhoff, Phys. Chem. Chem. Phys., 2018, 20, 7470

2019 ◽  
Vol 21 (2) ◽  
pp. 929-929
Author(s):  
Kenneth R. Harris
Keyword(s):  
Ionic Liquid ◽  
Liquid Mixtures ◽  
Chem Phys ◽  
Transference Numbers ◽  
Wrong Direction ◽  
Phys Chem Chem Phys

Correction for ‘Comment on “Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the “Wrong” direction?” by M. Gouverneur, F. Schmidt and M. Schönhoff, Phys. Chem. Chem. Phys., 2018, 20, 7470’ by Kenneth R. Harris, Phys. Chem. Chem. Phys., 2018, 20, 30041–30045.

scholarly journals Correction: A molecular dynamics study of the ionic liquid, choline acetate

2017 ◽  
Vol 19 (18) ◽  
pp. 11709-11709
Author(s):  
Jon A. L. Willcox ◽  
Hyunjin Kim ◽  
Hyung J. Kim
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘A molecular dynamics study of the ionic liquid, choline acetate’ by Jon A. L. Willcox et al., Phys. Chem. Chem. Phys., 2016, 18, 14850–14858.

Comment on “Bi-layering at ionic liquid surfaces: a sum – frequency generation vibrational spectroscopy – and molecular dynamics simulation-based study” by T. Iwahashi, T. Ishiyama, Y. Sakai, A. Morita, D. Kim and Y. Ouchi, Phys. Chem. Chem. Phys., 2020, 22, 12565

2021 ◽  
Author(s):  
Moshe Deutsch ◽  
Olaf M. Magnussen ◽  
Julia Haddad ◽  
Diego Pontoni ◽  
Bridget M. Murphy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Surface Structure ◽  
Chem Phys ◽  
Dynamics Simulation ◽  
X Ray ◽  
Sum Frequency ◽  
Simulation Based ◽  
Phys Chem Chem Phys

Serious discrepancies are demonstrated between the proposed mono/bilayer surface structure and X-ray measurements, which rather support a depth-decaying multilayer surface structure.

scholarly journals Correction: Free ion diffusivity and charge concentration on cross-linked polymeric ionic liquid iongel films based on sulfonated zwitterionic salts and lithium ions

2021 ◽  
Author(s):  
David Valverde ◽  
Abel Garcia-Bernabé ◽  
Andreu Andrio ◽  
Eduardo García-Verdugo ◽  
Santiago V. Luis ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Chem Phys ◽  
Lithium Ions ◽  
Polymeric Ionic Liquid ◽  
Free Ion ◽  
Charge Concentration ◽  
Phys Chem Chem Phys

Correction for ‘Free ion diffusivity and charge concentration on cross-linked polymeric ionic liquid iongel films based on sulfonated zwitterionic salts and lithium ions’ by David Valverde et al., Phys. Chem. Chem. Phys., 2019, 21, 17923–17932, DOI: 10.1039/C9CP01903K.

Comment on “Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the “Wrong” direction?” by M. Gouverneur, F. Schmidt and M. Schönhoff,Phys. Chem. Chem. Phys., 2018,20, 7470

2018 ◽  
Vol 20 (47) ◽  
pp. 30041-30045 ◽  
Author(s):  
Kenneth R. Harris
Keyword(s):  
Ionic Liquid ◽  
Liquid Mixtures ◽  
Chem Phys ◽  
Frame Of Reference ◽  
Transference Numbers ◽  
Transport Numbers ◽  
Wrong Direction ◽  
Phys Chem Chem Phys

Transport numbers from electrophoretic NMR must be converted to the correct frame of reference to be physically meaningful.

Reply to the ‘Comment on “Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the “Wrong” direction?”’ by K. R. Harris,Phys. Chem. Chem. Phys., 2018,20, DOI: 10.1039/C8CP02595A

2018 ◽  
Vol 20 (47) ◽  
pp. 30046-30052 ◽  
Author(s):  
Monika Schönhoff ◽  
Cornelia Cramer ◽  
Florian Schmidt
Keyword(s):  
Ionic Liquid ◽  
Reference Frame ◽  
Liquid Mixtures ◽  
Chem Phys ◽  
Transference Numbers ◽  
Negative Transference ◽  
External Reference ◽  
Wrong Direction ◽  
Phys Chem Chem Phys

Irrespective of the choice of an internal or external reference frame, Li+cations may have negative transference numbers.

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

2018 ◽  
Author(s):  
Tim Gould
Keyword(s):  
Density Functional ◽  
Chem Phys ◽  
Comprehensive Analysis ◽  
Genetic Approach ◽  
Representative Subset ◽  
Phys Chem Chem Phys

The GMTKN55 benchmarking protocol introduced by [Goerigk et al., Phys. Chem. Chem. Phys., 2017, 19, 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55's 1500 benchmarking values require energies for around 2500 systems to be calculated, making it a costly exercise. This manuscript introduces three subsets of GMTKN55, consisting of 30, 100 and 150 systems, as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach, and consequently can reproduce key results of the full GMTKN55 database, including ranking of approximations.

scholarly journals Correction: Space charge limited release of charged inverse micelles in non-polar liquids

2021 ◽  
Author(s):  
Manoj Prasad ◽  
Filip Strubbe ◽  
Filip Beunis ◽  
Kristiaan Neyts
Keyword(s):  
Space Charge ◽  
Chem Phys ◽  
Polar Liquids ◽  
Inverse Micelles ◽  
Phys Chem Chem Phys ◽  
Space Charge Limited

Correction for ‘Space charge limited release of charged inverse micelles in non-polar liquids’ by Manoj Prasad et al., Phys. Chem. Chem. Phys., 2016, 18, 19289–19298, DOI: 10.1039/C6CP03544B.

scholarly journals Correction: Observation of ordered arrays of endotaxially grown nanostructures from size-selected Cu-nanoclusters deposited on patterned substrates of Si

2021 ◽  
Author(s):  
Shyamal Mondal ◽  
Debasree Chowdhury ◽  
Pabitra Das ◽  
Biswarup Satpati ◽  
Debabrata Ghose ◽  
...  
Keyword(s):  
Chem Phys ◽  
Patterned Substrates ◽  
Ordered Arrays ◽  
Cu Nanoclusters ◽  
Phys Chem Chem Phys

Correction for ‘Observation of ordered arrays of endotaxially grown nanostructures from size-selected Cu-nanoclusters deposited on patterned substrates of Si’ by Shyamal Mondal et al., Phys. Chem. Chem. Phys., 2021, 23, 6009–6016 DOI: 10.1039/D0CP06089E.

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