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Ideal Collision Model to Calculate Rate Coefficients Under PTR-MS Conditions

Energetics: PTR-MS Drift-tube Conditions A commonly used ionization procedure in a classic PTR-MS instrument incorporates proton-transfer reactions, usually taking H3O+ as a proton donor. One of the biggest benefit of…

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Rate Coefficients in Ion-Molecule Collision Reactions

Ion-molecule Collision Reactions in Gas-Phase In mass spectrometry, ion-molecule reactions refer to the chemical reactions that take place between charged ions and neutral molecules within the gas phase of the…

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Computational Chemistry vs Computational Resources

Ab initio calculations, which are quantum mechanical calculations performed without any experimentally determined input, require significant computational power. Ab initio calculations are called a Hartree-Fock (HF) calculation, where the primary…

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