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20142020
most citedRapid Evolution of the Photosystem II Electronic Structure during Water Splitting

38 citations · 58 across the 9 of their papers we have counts for

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physics.chem-ph2020★ 3 cited

Initial estimate for minimum energy pathways and transition states using velocities in internal coordinates

Mark C Palenik

Many algorithms for finding reaction pathways require an initial estimate of the minimum energy path (MEP). Most estimation methods use a variational approach and thus must be seed…

physics.chem-ph2015

The Variationally Fitted Electron-Electron Potential

Brett I Dunlap, Mark C Palenik

Perhaps the simplest first-principles approach to electronic structure is to fit the charge distribution of each orbital pair and use those fits wherever they appear in the entire…