Reply to the ‘Comment on “Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium”’, by M. C. C. Ribeiro and A. O. Cavalcante, Phys. Chem. Chem. Phys., 2002, 4, 2917

2002 ◽  
Vol 4 (13) ◽  
pp. 2919-2920 ◽  
Author(s):  
Georgia M. A. Junqueira ◽  
Willian R. Rocha ◽  
Wagner B. De Almeida ◽  
Hélio F. Dos Santos
Keyword(s):  
Theoretical Analysis ◽  
Coordination Compound ◽  
Spectroscopic Properties ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium

2001 ◽  
Vol 3 (17) ◽  
pp. 3499-3505 ◽  
Author(s):  
Georgia M. A. Junqueira ◽  
William R. Rocha ◽  
Wagner B. De Almeida ◽  
He′lio F. Dos Santos
Keyword(s):  
Theoretical Analysis ◽  
Coordination Compound ◽  
Spectroscopic Properties

scholarly journals Correction: Predictable spectroscopic properties of type-II ZnTe/CdSe nanocrystals and electron/hole quenching

2020 ◽  
Vol 22 (10) ◽  
pp. 6011-6011
Author(s):  
Tongqing Long ◽  
Jun Cao ◽  
Zhong-Jie Jiang
Keyword(s):  
Spectroscopic Properties ◽  
Chem Phys ◽  
Cdse Nanocrystals ◽  
Type Ii ◽  
Electron Hole ◽  
Phys Chem Chem Phys

Correction for ‘Predictable spectroscopic properties of type-II ZnTe/CdSe nanocrystals and electron/hole quenching’ by Tongqing Long et al., Phys. Chem. Chem. Phys., 2019, 21, 5824–5833.

Comment on “Spectroscopic properties and location of the Ce3+ energy levels in Y3Al2Ga3O12 and Y3Ga5O12 at ambient and high hydrostatic pressure” by S. Mahlik, A. Lazarowska, J. Ueda, S. Tanabe and M. Grinberg, Phys. Chem. Chem. Phys., 2016, 18, 6683

2019 ◽  
Vol 21 (5) ◽  
pp. 2816-2817
Author(s):  
Yongjie Wang ◽  
M. Głowacki ◽  
M. Berkowski ◽  
A. Kamińska ◽  
Andrzej Suchocki
Keyword(s):  
Rare Earth ◽  
Hydrostatic Pressure ◽  
High Hydrostatic Pressure ◽  
Energy Levels ◽  
Spectroscopic Properties ◽  
Chem Phys ◽  
Band Gap Energy ◽  
Vacuum Level ◽  
Gap Energy ◽  
Phys Chem Chem Phys

The temperature dependence of the band-gap energy affects the evaluation of the energy positions of rare-earth 4f levels in relation to the vacuum level.

`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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