Tampa BSides - Chef's Tour of Microsoft Security Adoption Framework (SAF)
QTPIE charge model improves water dipole moments
1. QTPIE: A new charge model for arbitrary geometries and systems Jiahao Chen and Todd J. Martínez Department of Chemistry and the Beckman Institute Poster: 7:30-9:30 tonight, BCEC Exhibit Hall B2, #107
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6. Fluctuating-charge models map molecules onto electrical circuits screened Coulomb interaction chemical hardness electro- negativity molecule More electropositive More electronegative 0 V - Voltage + electric potential (inverse) capacitance electrical circuits Coulomb interaction