Found: 14
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Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites.
- Published in:
- Computation, 2022, v. 10, n. 5, p. 74, doi. 10.3390/computation10050074
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- Publication type:
- Article
Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday.
- Published in:
- 2022
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- Publication type:
- Editorial
Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits.
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- Computation, 2022, v. 10, n. 5, p. 77, doi. 10.3390/computation10050077
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- Publication type:
- Article
A Mathematical and Numerical Framework for Traffic-Induced Air Pollution Simulation in Bamako.
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- Computation, 2022, v. 10, n. 5, p. 76, doi. 10.3390/computation10050076
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- Publication type:
- Article
In Silico Analysis of Peptide-Based Derivatives Containing Bifunctional Warheads Engaging Prime and Non-Prime Subsites to Covalent Binding SARS-CoV-2 Main Protease (M pro).
- Published in:
- Computation, 2022, v. 10, n. 5, p. 69, doi. 10.3390/computation10050069
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- Publication type:
- Article
A Data-Driven Framework for Probabilistic Estimates in Oil and Gas Project Cost Management: A Benchmark Experiment on Natural Gas Pipeline Projects.
- Published in:
- Computation, 2022, v. 10, n. 5, p. 75, doi. 10.3390/computation10050075
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- Publication type:
- Article
Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu 2 OX 2 (X = Cl, Br, I).
- Published in:
- Computation, 2022, v. 10, n. 5, p. 73, doi. 10.3390/computation10050073
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- Publication type:
- Article
Inverse Modeling of Hydrologic Parameters in CLM4 via Generalized Polynomial Chaos in the Bayesian Framework.
- Published in:
- Computation, 2022, v. 10, n. 5, p. 72, doi. 10.3390/computation10050072
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- Publication type:
- Article
Estimation Parameters of Dependence Meta-Analytic Model: New Techniques for the Hierarchical Bayesian Model.
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- Computation, 2022, v. 10, n. 5, p. 71, doi. 10.3390/computation10050071
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- Publication type:
- Article
LFDFT—A Practical Tool for Coordination Chemistry.
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- Computation, 2022, v. 10, n. 5, p. 70, doi. 10.3390/computation10050070
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- Publication type:
- Article
A Comprehensive DFT Investigation of the Adsorption of Polycyclic Aromatic Hydrocarbons onto Graphene.
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- Computation, 2022, v. 10, n. 5, p. 68, doi. 10.3390/computation10050068
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- Publication type:
- Article
A Stochastic Model for Determining Static Stability Margins in Electric Power Systems.
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- Computation, 2022, v. 10, n. 5, p. 67, doi. 10.3390/computation10050067
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- Publication type:
- Article
Cognitive Hybrid Intelligent Diagnostic System: Typical Architecture.
- Published in:
- Computation, 2022, v. 10, n. 5, p. 66, doi. 10.3390/computation10050066
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- Publication type:
- Article
Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer.
- Published in:
- Computation, 2022, v. 10, n. 5, p. 65, doi. 10.3390/computation10050065
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- Publication type:
- Article