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Abstract We have developed a set of new
![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-Table1-1.png "PDF] Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry | Semantic Scholar")
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Theoretical and computational studies of organometallic reactions: successful or not? - Sakaki - 2010 - The Chemical Record - Wiley Online Library
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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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Simplification of the CBS-QB3 method for
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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)
An accurate ab initio electronic structure calculation for interstellar argonium - ScienceDirect
Molecules | Free Full-Text | Symmetry Breaking of B2N(−, 0, +): An Aspect of the Electric Potential and Atomic Charges | HTML
Electric dipole polarizability of Si 4 | Download Table
PDF) A Comparison of the Interacting Quantum Atoms (IQA) Analysis of the Two-Particle Density-Matrices of MP4SDQ and CCSD
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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/e98ab76fab0d07d56ccd231c2f9d71b35ab74d17/5-Table2-1.png "PDF] Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry | Semantic Scholar")