scholarly journals Correction: Comment on “Isomerization of the methoxy radical revisited: the impact of water dimers” by B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2016, 18, 27728 and “Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts” by P. Kumar, B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2017, 19, 278

2018 ◽  
Vol 20 (20) ◽  
pp. 14264-14264 ◽  
Author(s):  
Theodore S. Dibble
Keyword(s):  
Chem Phys ◽  
Basic Catalysts ◽  
Methoxy Radical ◽  
The Impact ◽  
Phys Chem Chem Phys ◽  
Water Dimers

Correction for ‘Comment on “Isomerization of the methoxy radical revisited: the impact of water dimers” by B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2016, 18, 27728 and “Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts” by P. Kumar, B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2017, 19, 278’ by Theodore S. Dibble et al., Phys. Chem. Chem. Phys., 2018, 20, 11481–11482.

scholarly journals Correction: Gd(iii)–Gd(iii) EPR distance measurements – the range of accessible distances and the impact of zero field splitting

2016 ◽  
Vol 18 (27) ◽  
pp. 18614-18614
Author(s):  
Arina Dalaloyan ◽  
Mian Qi ◽  
Sharon Ruthstein ◽  
Shimon Vega ◽  
Adelheid Godt ◽  
...  
Keyword(s):  
Chem Phys ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Distance Measurements ◽  
Field Splitting ◽  
The Impact ◽  
Phys Chem Chem Phys

Correction for ‘Gd(iii)–Gd(iii) EPR distance measurements – the range of accessible distances and the impact of zero field splitting’ by Arina Dalaloyan et al., Phys. Chem. Chem. Phys., 2015, 17, 18464–18476.

Isomerization of the methoxy radical revisited: the impact of water dimers

2016 ◽  
Vol 18 (40) ◽  
pp. 27728-27732 ◽  
Author(s):  
Pradeep Kumar ◽  
Partha Biswas ◽  
Biman Bandyopadhyay
Keyword(s):  
Lower Troposphere ◽  
Methoxy Radicals ◽  
Methoxy Radical ◽  
The Impact ◽  
Water Dimers

Investigations carried out at MP2 and CCSD(T) levels of theory show that water dimers can compete with formic and sulfuric acids in catalyzing isomerization of methoxy radicals in the lower troposphere.

scholarly journals Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study

2018 ◽  
Vol 20 (14) ◽  
pp. 9671-9671
Author(s):  
Vivek S. Bharadwaj ◽  
Shubham Vyas ◽  
Stephanie M. Villano ◽  
C. Mark Maupin ◽  
Anthony M. Dean
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Chem Phys ◽  
Ab Initio Study ◽  
Fumarate Addition ◽  
The Impact ◽  
Phys Chem Chem Phys

Correction for ‘Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study’ by Vivek S. Bharadwaj et al., Phys. Chem. Chem. Phys., 2015, 17, 4054–4066.

scholarly journals Correction: The impact of doping rates on the morphologies of silver and gold nanowires grown in helium nanodroplets

2016 ◽  
Vol 18 (4) ◽  
pp. 3359-3359 ◽  
Author(s):  
Alexander Volk ◽  
Philipp Thaler ◽  
Daniel Knez ◽  
Andreas W. Hauser ◽  
Johannes Steurer ◽  
...  
Keyword(s):  
Chem Phys ◽  
Gold Nanowires ◽  
Helium Nanodroplets ◽  
The Impact ◽  
Phys Chem Chem Phys

Correction for ‘The impact of doping rates on the morphologies of silver and gold nanowires grown in helium nanodroplets’ by Alexander Volk et al., Phys. Chem. Chem. Phys., 2016, DOI: 10.1039/c5cp06248a.

`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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