scholarly journals Reply to the ‘Comment on “Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature”’ by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A

2018 ◽  
Vol 20 (12) ◽  
pp. 8355-8357 ◽  
Author(s):  
W. Siebrand ◽  
Z. Smedarchina ◽  
D. Ferro-Costas ◽  
E. Martínez-Núñez ◽  
A. Fernández-Ramos
Keyword(s):  
Low Temperature ◽  
Hydrogen Abstraction ◽  
Chem Phys ◽  
Dimer Formation ◽  
Phys Chem Chem Phys

We briefly reply to the arguments presented in the Comment.

scholarly journals Comment on “Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature” by W. Siebrand, Z. Smedarchina, E. Martínez-Núñez and A. Fernández-Ramos, Phys. Chem. Chem. Phys., 2016, 18, 22712

2018 ◽  
Vol 20 (12) ◽  
pp. 8349-8354 ◽  
Author(s):  
R. J. Shannon ◽  
J. C. Gómez Martín ◽  
R. L. Caravan ◽  
M. A. Blitz ◽  
J. M. C. Plane ◽  
...  
Keyword(s):  
Low Temperature ◽  
Low Temperatures ◽  
Laval Nozzle ◽  
Hydrogen Abstraction ◽  
Chem Phys ◽  
Dimer Formation ◽  
Kinetics Studies ◽  
Phys Chem Chem Phys

A low fraction of methanol dimers is formed in the Laval nozzle used for kinetics studies at very low temperatures.

scholarly journals Correction: A kinetics study on hydrogen abstraction reactions of cyclopentane by hydrogen, methyl, and ethyl radicals

2021 ◽  
Author(s):  
Wenqi Chen ◽  
Xuan Guo ◽  
Lifang Chen ◽  
Ruiming Zhang ◽  
Yan Li ◽  
...  
Keyword(s):  
Hydrogen Abstraction ◽  
Chem Phys ◽  
Kinetics Study ◽  
Ethyl Radicals ◽  
Phys Chem Chem Phys

Correction for ‘A kinetics study on hydrogen abstraction reactions of cyclopentane by hydrogen, methyl, and ethyl radicals’ by Wenqi Chen et al., Phys. Chem. Chem. Phys., 2021, 23, 7333–7342, DOI: 10.1039/D1CP00386K.

scholarly journals Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature

2016 ◽  
Vol 18 (32) ◽  
pp. 22712-22718 ◽  
Author(s):  
Willem Siebrand ◽  
Zorka Smedarchina ◽  
Emilio Martínez-Núñez ◽  
Antonio Fernández-Ramos
Keyword(s):  
Low Temperature ◽  
Hydroxyl Radicals ◽  
Kinetic Data ◽  
Hydrogen Abstraction ◽  
Dimer Formation ◽  
Cold Expansion ◽  
Kinetics Of

The kinetics of the reaction of methanol with hydroxyl radicals is revisited in light of reported new kinetic data, measured in cold expansion beams.

`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.

scholarly journals Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2

2021 ◽  
Author(s):  
Aditya G. Rao ◽  
Christian Wiebeler ◽  
Saumik Sen ◽  
David S. Cerutti ◽  
Igor Schapiro
Keyword(s):  
Structural Heterogeneity ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2’ by Aditya G. Rao et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp05314g.

scholarly journals Correction: Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor

2021 ◽  
Vol 23 (7) ◽  
pp. 4454-4454
Author(s):  
Kunran Yang ◽  
Jeremie Zaffran ◽  
Bo Yang
Keyword(s):  
Carbon Nanotubes ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Chem Phys ◽  
Reduction Reaction ◽  
Oxygen Reduction Reaction Activity ◽  
Fast Prediction ◽  
Phys Chem Chem Phys

Correction for ‘Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor’ by Kunran Yang et al., Phys. Chem. Chem. Phys., 2020, 22, 890–895, DOI: 10.1039/C9CP04885E.

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