van der Waals radius
E926080
The van der Waals radius is a measure of the effective size of an atom or molecule that reflects how close it can approach another particle without forming a chemical bond.
Statements (55)
| Predicate | Object |
|---|---|
| instanceOf |
atomic property
ⓘ
chemical property ⓘ intermolecular parameter ⓘ molecular property ⓘ |
| alsoKnownAs | vdW radius ⓘ |
| approximatedBy | half of the van der Waals contact distance between two identical atoms ⓘ |
| characterizes |
closest approach without bonding
ⓘ
nonbonded contact distance ⓘ |
| definedBy | distance of closest approach between nonbonded atoms ⓘ |
| dependsOn |
chemical environment
ⓘ
element type ⓘ molecular context ⓘ |
| describes |
effective size of a molecule
ⓘ
effective size of an atom ⓘ |
| differentFrom |
Bohr radius
ⓘ
atomic radius ⓘ covalent radius ⓘ ionic radius ⓘ metallic radius ⓘ |
| importantFor |
understanding condensed phases
ⓘ
understanding crystal packing ⓘ understanding molecular recognition ⓘ |
| measuredIn |
angstrom
ⓘ
picometer ⓘ |
| namedAfter | Johannes Diderik van der Waals NERFINISHED ⓘ |
| relatedTo |
molecular volume
ⓘ
steric volume ⓘ van der Waals volume ⓘ |
| relatesTo |
intermolecular interactions
ⓘ
nonbonded interactions ⓘ van der Waals forces ⓘ |
| tabulatedIn |
chemical handbooks
ⓘ
force field parameter sets ⓘ |
| usedIn |
Lennard-Jones potential
NERFINISHED
ⓘ
Monte Carlo simulations ⓘ computational chemistry ⓘ crystallography ⓘ drug design ⓘ force field parameterization ⓘ interatomic potential functions ⓘ materials science ⓘ molecular dynamics simulations ⓘ molecular mechanics ⓘ molecular modeling ⓘ molecular surface calculations ⓘ packing coefficient calculations ⓘ protein–ligand docking ⓘ solvent-accessible surface area calculations ⓘ steric hindrance analysis ⓘ surface science ⓘ |
| usedToEstimate |
excluded volume
ⓘ
molecular size ⓘ packing density ⓘ steric clashes in molecular structures ⓘ |
| variesAcross | periodic table ⓘ |
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.