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Literature DB >> 35703680

Correction: Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology.

Abstract

[This corrects the article DOI: 10.1039/C6RA04656H.]. This journal is © The Royal Society of Chemistry.

Entities: Chemical

Year: 2022 PMID： 35703680 PMCID： PMC9096813 DOI： 10.1039/d2ra90050e

Source DB: PubMed Journal: RSC Adv ISSN： 2046-2069 Impact factor: 3.361

The authors regret that there was an error in eqn (25) of the original manuscript. The correct version of eqn (25) is presented below. The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

6 in total

1. Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO₂ Capture.

Authors: Hakan Demir; Seda Keskin
Journal: J Phys Chem C Nanomater Interfaces Date: 2022-06-03 Impact factor: 4.177

2. Data-Driven Investigation of Tellurium-Containing Semiconductors for CO₂ Reduction: Trends in Adsorption and Scaling Relations.

Authors: Martin Siron; Oxana Andriuc; Kristin A Persson
Journal: J Phys Chem C Nanomater Interfaces Date: 2022-07-28 Impact factor: 4.177

Correction: Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology.

1. Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO₂ Capture.

2. Data-Driven Investigation of Tellurium-Containing Semiconductors for CO₂ Reduction: Trends in Adsorption and Scaling Relations.

3. Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts.

4. Liquid-Phase Effects on Adsorption Processes in Heterogeneous Catalysis.

5. Dehydrogenation versus deprotonation of disaccharide molecules in vacuum: a thorough theoretical investigation.

Review 6. Decomposition of Organic Perovskite Precursors on MoO₃: Role of Halogen and Surface Defects.

Correction: Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology.

1. Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO2 Capture.

2. Data-Driven Investigation of Tellurium-Containing Semiconductors for CO2 Reduction: Trends in Adsorption and Scaling Relations.

3. Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts.

4. Liquid-Phase Effects on Adsorption Processes in Heterogeneous Catalysis.

5. Dehydrogenation versus deprotonation of disaccharide molecules in vacuum: a thorough theoretical investigation.

Review 6. Decomposition of Organic Perovskite Precursors on MoO3: Role of Halogen and Surface Defects.

1. Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO₂ Capture.

2. Data-Driven Investigation of Tellurium-Containing Semiconductors for CO₂ Reduction: Trends in Adsorption and Scaling Relations.

Review 6. Decomposition of Organic Perovskite Precursors on MoO₃: Role of Halogen and Surface Defects.