scholarly journals Correction: Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+ and Cd2+

2017 ◽  
Vol 19 (28) ◽  
pp. 18774-18776
Author(s):  
Georgia C. Boles ◽  
Cameron J. Owen ◽  
Giel Berden ◽  
Jos Oomens ◽  
P. B. Armentrout
Keyword(s):  
Glutamic Acid ◽  
Chem Phys ◽  
Infrared Multiple Photon Dissociation ◽  
Theoretical Investigations ◽  
Phys Chem Chem Phys

Correction for ‘Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+ and Cd2+’ by Georgia C. Boles et al., Phys. Chem. Chem. Phys., 2017, 19, 12394–12406.

Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+and Cd2+

2017 ◽  
Vol 19 (19) ◽  
pp. 12394-12406 ◽  
Author(s):  
Georgia C. Boles ◽  
Cameron J. Owen ◽  
Giel Berden ◽  
Jos Oomens ◽  
P. B. Armentrout
Keyword(s):  
Amino Acid ◽  
Glutamic Acid ◽  
Infrared Multiple Photon Dissociation ◽  
Theoretical Investigations

IRMPD of [Zn(Glu-H)ACN]+was particularly interesting because fragmentation of the amino acid was favored, rather than dissociation of the ACN ligand.

Reply to the ‘Comment on “Theoretical investigations on hydrogen peroxide decomposition in aquo”’ by W. H. Koppenol, Phys. Chem. Chem. Phys., 2021, 23, DOI: 10.1039/D1CP03545B

2021 ◽  
Author(s):  
Takao Tsuneda ◽  
Tetsuya Taketsugu
Keyword(s):  
Hydrogen Peroxide ◽  
Decomposition Reaction ◽  
Chem Phys ◽  
Simple Test ◽  
Ion Hydration ◽  
Hydrogen Peroxide Decomposition ◽  
Gibbs Energies ◽  
Peroxide Decomposition ◽  
Theoretical Investigations ◽  
Phys Chem Chem Phys

The H2O2 decomposition reaction mechanism based on the production of a de facto Fe+ ion hydration complex is strongly supported by a simple test based on the Gibbs energies considering the O–O bond dissociation of H2O2.

scholarly journals Correction: Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy

2017 ◽  
Vol 19 (28) ◽  
pp. 18777-18778
Author(s):  
Rebecca A. Coates ◽  
Christopher P. McNary ◽  
Georgia C. Boles ◽  
Giel Berden ◽  
Jos Oomens ◽  
...  
Keyword(s):  
Methyl Ester ◽  
Gas Phase ◽  
Structural Characterization ◽  
Chem Phys ◽  
Infrared Multiple Photon Dissociation ◽  
Phys Chem Chem Phys

Correction for ‘Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy’ by Rebecca A. Coates et al., Phys. Chem. Chem. Phys., 2015, 17, 25799–25808.

scholarly journals Correction: Zn2+ and Cd2+ cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigations

2017 ◽  
Vol 19 (27) ◽  
pp. 18100-18101
Author(s):  
Rebecca A. Coates ◽  
Georgia C. Boles ◽  
Christopher P. McNary ◽  
Giel Berden ◽  
Jos Oomens ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Chem Phys ◽  
Functional Theory ◽  
Infrared Multiple Photon Dissociation ◽  
Phys Chem Chem Phys

Correction for ‘Zn2+ and Cd2+ cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigations’ by Rebecca A. Coates et al., Phys. Chem. Chem. Phys., 2016, 18, 22434–22445.

`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.

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