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Slide 1 Applications of SCC-DFTB method in important chemical systems Hao Hu Dept. Chemistry Duke University Slide 2 Outline Calculate relative pKa for small organic molecules…
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Contribution of water dimers in atmospheric absorption: methodology Ross E. A. Kelly, Matt J. Barber, Jonathan Tennyson Department of Physics and Astronomy, University College…
Applications of SCC-DFTB method in important chemical systems Hao Hu Dept. Chemistry Duke University Outline Calculate relative pKa for small organic molecules Simulate liquid…