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In computational chemistry and molecular d … In computational chemistry and molecular dynamics, the combination rules or combining rules are equations that provide the interaction energy between two dissimilar non-bonded atoms, usually for the part of the potential representing the van der Waals interaction. In the simulation of mixtures, the choice of combining rules can sometimes affect the outcome of the simulation.imes affect the outcome of the simulation.
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| rdfs:comment |
In computational chemistry and molecular d … In computational chemistry and molecular dynamics, the combination rules or combining rules are equations that provide the interaction energy between two dissimilar non-bonded atoms, usually for the part of the potential representing the van der Waals interaction. In the simulation of mixtures, the choice of combining rules can sometimes affect the outcome of the simulation.imes affect the outcome of the simulation.
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| rdfs:label |
Combining rules
|
