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Presentations tagged "qtpie"

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Methods for computing partial charges

Methods for computing partial charges

from: acidflask 2 months ago
57 views , 0 comments
tags: groupmeeting qtpie

QTPIE and water (Part 1)

QTPIE and water (Part 1)

from: acidflask 2 months ago
136 views , 0 comments
tags: polarizable water qtpie model

QTPIE and water (Part 2)

QTPIE and water (Part 2)

from: acidflask 2 months ago
81 views , 0 comments
tags: polarizable model molecularmechanics water

QTPIE: A minimal extension of Goddard's QEq model with correct dissociation

QTPIE: A minimal extension of Goddard's QEq model w...

from: acidflask 2 months ago
136 views , 0 comments
tags: poster mechanics force qtpie

Polarization and charge transfer in classical molecular dynamics

Polarization and charge transfer in classical molec...

from: acidflask 2 months ago
166 views , 0 comments
tags: talk mechanics force qtpie

Representing molecules as atomic-scale electrical circuits with fluctuating-charge models

Representing molecules as atomic-scale electrical c...

from: acidflask 2 months ago
150 views , 0 comments
tags: charge fluctuating field qtpie

QTPIE: A new charge model for arbitrary geometries and systems

QTPIE: A new charge model for arbitrary geometries ...

from: acidflask 2 months ago
151 views , 0 comments
tags: talk mechanics force qtpie

Constructing a rigorous fluctuating-charge model for molecular mechanics

Constructing a rigorous fluctuating-charge model fo...

from: acidflask 2 months ago
163 views , 0 comments
tags: molecular model charge fluctuating

this talk has only three equations

this talk has only three equations

from: acidflask 2 months ago
128 views , 0 comments
tags: molecular model charge fluctuating

QTPIE: A fluctuating-charge model for molecular systems with correct asymptotics

QTPIE: A fluctuating-charge model for molecular sys...

from: acidflask 2 months ago
86 views , 0 comments
tags: qtpie fluctuating charge model

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