scholarly journals Correction: A shock tube study of the branching ratios of propene + OH reaction

2015 ◽  
Vol 17 (37) ◽  
pp. 24477-24477
Author(s):  
Jihad Badra ◽  
Fethi Khaled ◽  
Binod Raj Giri ◽  
Aamir Farooq
Keyword(s):  
Shock Tube ◽  
Branching Ratios ◽  
Chem Phys ◽  
Phys Chem Chem Phys ◽  
Tube Study

Correction for ‘A shock tube study of the branching ratios of propene + OH reaction’ by Jihad Badra et al., Phys. Chem. Chem. Phys., 2015, 17, 2421–2431.

scholarly journals A shock tube study of the branching ratios of propene + OH reaction

2015 ◽  
Vol 17 (4) ◽  
pp. 2421-2431 ◽  
Author(s):  
Jihad Badra ◽  
Fethi Khaled ◽  
Binod Raj Giri ◽  
Aamir Farooq
Keyword(s):  
Shock Tube ◽  
Branching Ratios ◽  
Rate Coefficients ◽  
Tube Study

Branching ratios of the propene + OH reaction are determined by measuring the rate coefficients of the reaction of OH with propene and five deuterated isotopes of propene.

Comment on “Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds” by G. Fayet, P. Rotureau, B. Minisini, Phys. Chem. Chem. Phys., 2014, 16, 6614

2015 ◽  
Vol 17 (15) ◽  
pp. 10283-10284 ◽  
Author(s):  
Vitaly G. Kiselev
Keyword(s):  
Theoretical Study ◽  
Branching Ratios ◽  
Chem Phys ◽  
Nitro Compounds ◽  
Aromatic Nitro Compounds ◽  
Radical Decomposition ◽  
Entropy Of Activation ◽  
Enthalpy And Entropy ◽  
Aromatic Nitro ◽  
Phys Chem Chem Phys

The approach proposed in the original paper yields spurious contributions to both enthalpy and entropy of activation of barrierless reactions. This renders reaction branching ratios intrinsically biased towards radical decomposition of nitro species.

`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.

scholarly journals Correction: Local structure of a highly concentrated NaClO4 aqueous solution-type electrolyte for sodium ion batteries

2021 ◽  
Vol 23 (16) ◽  
pp. 10130-10131
Author(s):  
Ryo Sakamoto ◽  
Maho Yamashita ◽  
Kosuke Nakamoto ◽  
Yongquan Zhou ◽  
Nobuko Yoshimoto ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Local Structure ◽  
Chem Phys ◽  
Sodium Ion ◽  
Sodium Ion Batteries ◽  
Solution Type ◽  
Type Electrolyte ◽  
Phys Chem Chem Phys

Correction for ‘Local structure of a highly concentrated NaClO4 aqueous solution-type electrolyte for sodium ion batteries’ by Ryo Sakamoto et al., Phys. Chem. Chem. Phys., 2020, 22, 26452–26458, DOI: 10.1039/D0CP04376A.

scholarly journals Correction: Temperature control in DRIFT cells used for in situ and operando studies: where do we stand today?

2020 ◽  
Vol 22 (47) ◽  
pp. 27912-27912
Author(s):  
Ignacio Melián-Cabrera
Keyword(s):  
Temperature Control ◽  
Chem Phys ◽  
Phys Chem Chem Phys ◽  
Operando Studies

Correction for ‘Temperature control in DRIFT cells used for in situ and operando studies: where do we stand today?’ by Ignacio Melián-Cabrera, Phys. Chem. Chem. Phys., 2020, DOI: 10.1039/d0cp04352d.

scholarly journals Correction: Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity

2020 ◽  
Vol 22 (19) ◽  
pp. 11101-11104
Author(s):  
S. Pelloni ◽  
P. Lazzeretti
Keyword(s):  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity’ by S. Pelloni et al., Phys. Chem. Chem. Phys., 2020, 22, 1299–1305, DOI: 10.1039/C9CP05563K.

Sign in / Sign up

Export Citation Format

Share Document