scholarly journals Correction: Multifaceted aspects of charge transfer

2021 ◽  
Author(s):  
James B. Derr ◽  
Jesse Tamayo ◽  
John A. Clark ◽  
Maryann Morales ◽  
Maximillian F. Mayther ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Multifaceted aspects of charge transfer’ by James B. Derr et al., Phys. Chem. Chem. Phys., 2020, 22, 21583–21629, DOI: 10.1039/d0cp01556c.

scholarly journals Reply to the ‘Comment on “Charge Transfer to Solvent Dynamics in Iodide Aqueous Solution Studied at Ionization Threshold”’ by A. Lübcke and H.-H. Ritze, Phys. Chem. Chem. Phys., 2015, 17, DOI: 10.1039/C5CP00346F

2015 ◽  
Vol 17 (27) ◽  
pp. 18195-18196
Author(s):  
Alexander Kothe ◽  
Martin Wilke ◽  
Alexandre Moguilevski ◽  
Nicholas Engel ◽  
Bernd Winter ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Charge Transfer ◽  
Intermediate State ◽  
Chem Phys ◽  
Ionization Threshold ◽  
Multiphoton Excitation ◽  
Solvent Dynamics ◽  
Charge Transfer Dynamics ◽  
Transient Intermediate ◽  
Phys Chem Chem Phys

Following multiphoton excitation above the vacuum threshold, the charge transfer dynamics involves the population of a transient intermediate state, |t〉.

Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential” by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833

2017 ◽  
Vol 19 (40) ◽  
pp. 27888-27891 ◽  
Author(s):  
D. Aranda ◽  
J. Román-Pérez ◽  
I. López-Tocón ◽  
J. Soto ◽  
F. Avila ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Electrode Potential ◽  
Chem Phys ◽  
Selection Rules ◽  
Phys Chem Chem Phys

Different theoretical tools for modelling the complex role of the electrode potential in SERS are highlighted.

Reply to the ‘Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential”’ by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833

2017 ◽  
Vol 19 (40) ◽  
pp. 27892-27894 ◽  
Author(s):  
Zahra Jamshidi ◽  
Mohammad Hassan Khodabandeh ◽  
Mozhdeh Mohammadpour ◽  
Lucas Visscher
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Electrode Potential ◽  
Chem Phys ◽  
Selection Rules ◽  
Phys Chem Chem Phys

The role of electrode potential in the amount of charge-transfer, stability of metal-pyridine and pattern of SERS spectra is investigated.

Comment on “Revisiting π backbonding: the influence of d orbitals on metal–CO bonds and ligand red shifts” by D. Koch, Y. Chen, P. Golub and S. Manzhos, Phys. Chem. Chem. Phys., 2019, 21, 20814

2020 ◽  
Vol 22 (9) ◽  
pp. 5377-5379 ◽  
Author(s):  
Sudip Pan ◽  
Gernot Frenking
Keyword(s):  
Charge Transfer ◽  
Metal Carbonyl ◽  
Chem Phys ◽  
Carbonyl Complexes ◽  
Metal Carbonyl Complexes ◽  
D Orbitals ◽  
Phys Chem Chem Phys

We challenge the statement of Koch et al. that the M → CO charge transfer and the decrease of the CO stretching frequency in metal carbonyl complexes do not depend on the metal d orbitals.

`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.

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