ArticleACS omega2022
Benchmark Density Functional Theory Approach for the Calculation of Bond Dissociation Energies of the M-O
Article in ACS omega, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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Who cites it
6 citing papers in PubMed.
- Structural, electronic, and gas adsorption properties of NiRSC advances · 2026Article
- Synthesis of a Cannabidiol Precursor: Experimental Challenges and DFT Insights into β‑Elimination Barriers.ACS omega · 2026Article
- Molecular interactions of the Omicron, Kappa, and Delta SARS-CoV-2 spike proteins with quantum dots of graphene oxide.Journal of molecular modeling · 2024Article
- Comparison of CuJournal of molecular modeling · 2024Article
- Origin of Optoelectronic Contradictions in 3,4-Cycloalkyl[Polymers · 2023Article
- Semiconductor Nanomaterial Photocatalysts for Water-Splitting Hydrogen Production: The Holy Grail of Converting Solar Energy to Fuel.Nanomaterials (Basel, Switzerland) · 2023Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A very fascinating aspect in quantum chemical research is to determine the accurate and cost-effective methods for the calculation of electronic and structural properties through a benchmark study. The current study focuses on the performance evaluation of density functional theory methods for the accurate measurement of bond dissociation energies (BDEs) of chemically important M-O
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Registered trials
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