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Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT? - Abstract - Europe PMC
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Inorganics | Free Full-Text | Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes | HTML
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Computational study on the thermal decomposition and isomerization of the CH3OCF2O• radical
Inorganics | Free Full-Text | Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes | HTML
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory: The Journal of Chemical
MP2/6-311G(2d,2p) optimized geometries for the transition states... | Download Scientific Diagram
Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory: The Journal of Chemical
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PQS (software) - Wikipedia
Differential changes in the bond lengths for HF, MP2, and CCSDT pm. | Download Scientific Diagram
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Molpro: a general‐purpose quantum chemistry program package - Werner - 2012 - WIREs Computational Molecular Science - Wiley Online Library
Boosting quantum machine learning models with multi-level combination technique: Pople diagrams revisited – arXiv Vanity
The results of the geometry optimization carried out at the CCSD(T)... | Download Scientific Diagram
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