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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
PDF) A Comparison of the Interacting Quantum Atoms (IQA) Analysis of the Two-Particle Density-Matrices of MP4SDQ and CCSD
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ACCURATE AB INITIO, POTENTIAL ENERGY SURFACE AND PREDICTED SPECTROSCOPIC PROPERTIES OF BeH$_2$, BeD$_2$ and BeHD
Support vector machine regression (LS-SVM)—an alternative to artificial neural networks (ANNs) for the analysis of quantum chemistry data? - Physical Chemistry Chemical Physics (RSC Publishing)
Correlated Ab Initio Calculations: Tutorial and Assignments
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![PDF] Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/e98ab76fab0d07d56ccd231c2f9d71b35ab74d17/3-Figure1-1.png "PDF] Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry | Semantic Scholar")
PDF] Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry | Semantic Scholar
Theoretical and computational studies of organometallic reactions: successful or not? - Sakaki - 2010 - The Chemical Record - Wiley Online Library
Simplification of the CBS-QB3 method for
A comparison of how the bond correlation energy changes between MP2 and... | Download Table
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Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree–Fock energies, and small subsets of the database: The Journal of Chemical Physics: Vol 131, No 12
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Theoretical and computational studies of organometallic reactions: successful or not? - Sakaki - 2010 - The Chemical Record - Wiley Online Library
An accurate ab initio electronic structure calculation for interstellar argonium - ScienceDirect
PPT - Post Hartree-Fock Methods (Lecture 2) PowerPoint Presentation, free download - ID:727669
Water Dimer — KressWorks Institute
Consistent scheme for computing standard hydrogen electrode and redox potentials - Matsui - 2013 - Journal of Computational Chemistry - Wiley Online Library
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Abstract We have developed a set of new
Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree–Fock energies, and small subsets of the database: The Journal of Chemical Physics: Vol 131, No 12
Multicoefficient Density Functional Theory WeiPing Hu Department of
Electric dipole polarizability of Si 4 | Download Table
