Accurate quantum chemical energies for 133 000 organic molecules - Chemical Science (RSC Publishing)
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Extended tight‐binding quantum chemistry methods - Bannwarth - 2021 - WIREs Computational Molecular Science - Wiley Online Library
A quantum chemical approach to the free energy calculations in condensed systems: The QM/MM method combined with the theory of energy representation: The Journal of Chemical Physics: Vol 121, No 9
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Quantum Chemistry - Chemistry Encyclopedia - structure, uses, equation, property, molecule, mass, atom
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Analytical gradient of energies with a sophisticated calculation method by quantum computers: application to the analysis of a photochemical reaction including conical intersection | by QunaSys Tech Blog | Medium
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Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants | JACS Au
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Quantum chemical accuracy from density functional approximations via machine learning | Nature Communications
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Calculating energy derivatives for quantum chemistry on a quantum computer | npj Quantum Information
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6 Quantum chemistry analysis of the graphene-Ca(II) complex stability.... | Download Scientific Diagram
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