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gptkbp:instanceOf
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interatomic potential
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|
gptkbp:alsoKnownAs
|
gptkb:LJ_potential
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gptkbp:appliesTo
|
noble gases
simple liquids
|
|
gptkbp:category
|
gptkb:logic
chemistry
physics
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|
gptkbp:describes
|
interaction between a pair of neutral atoms or molecules
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|
gptkbp:feature
|
long-range attraction
short-range repulsion
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gptkbp:form
|
V(r) = 4ε[(σ/r)^12 - (σ/r)^6]
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gptkbp:formedBy
|
gptkb:John_Lennard-Jones
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Lennard-Jones potential
|
|
gptkbp:influenced
|
development of force fields in computational chemistry
|
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gptkbp:introducedIn
|
1924
|
|
gptkbp:parameter
|
σ (finite distance at which the inter-particle potential is zero)
ε (depth of the potential well)
|
|
gptkbp:publishedIn
|
gptkb:Proceedings_of_the_Royal_Society_A
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|
gptkbp:relatedTo
|
gptkb:van_der_Waals_forces
gptkb:Buckingham_potential
gptkb:Morse_potential
pair potential
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|
gptkbp:usedIn
|
gptkb:statistical_mechanics
computational chemistry
molecular dynamics simulations
|
|
gptkbp:bfsParent
|
gptkb:John_Lennard-Jones
|
|
gptkbp:bfsLayer
|
5
|