ArticleJournal of chemical theory and computation2022
The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes.
Article in Journal of chemical theory and computation, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Intermolecular Interactions of Large Systems: Boron Nitrides, Acenes, and Coronenes.The journal of physical chemistry. A · 2026Article
- Optimization of Random Phase Approximation Calculations for Improved Energies of Molecules, Solids, and Surfaces.Journal of chemical theory and computation · 2026Article
- Benchmarking Nanoscale Noncovalent Complexes at the Two-Hundred-Atom Scale with Converged Local CCSD(T).The journal of physical chemistry. A · 2026Article
- Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples.The journal of physical chemistry. A · 2026Article
- Local-Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong-Correlation Model.Journal of computational chemistry · 2026Article
- Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals.Journal of chemical theory and computation · 2025Article
- Understanding DFT Uncertainties for More Reliable Reactivity Predictions by Advancing the Analysis of Error Sources.Journal of chemical theory and computation · 2025Article
- "Beyond-Zero-Sum" Range-Separated Local Hybrid Functional with Improved Dynamical Correlation.Journal of chemical theory and computation · 2025Article
- Another Angle on Benchmarking Noncovalent Interactions.Journal of chemical theory and computation · 2025Article
- Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals.Journal of chemical theory and computation · 2025Article
- Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets.Journal of chemical theory and computation · 2024Article
- MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and Its Applications in Computational Catalysis.Journal of chemical theory and computation · 2024Article
- Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set.Journal of chemical theory and computation · 2023Article
- Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications.Journal of chemical theory and computation · 2023Article
- Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition Metals.Journal of chemical theory and computation · 2023Article
- MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations.Journal of chemical theory and computation · 2023Article
- Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes.Journal of chemical theory and computation · 2023Article
- Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers.Frontiers in chemistry · 2023Article
- Coupled cluster theory on modern heterogeneous supercomputers.Frontiers in chemistry · 2023Article
- Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of LongerThe journal of physical chemistry. A · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We have revisited the MOBH35 (Metal-Organic Barrier Heights, 35 reactions) benchmark [Iron; , Janes,
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.