A method to integrate an atom in a molecule without explicit representation of the interatomic surface

1998 Computer Physics Communications 104 citations

Keywords

Atom (system on chip)Representation (politics)Surface (topology)Bounding overwatchBoundary (topology)Computer scienceAtoms in moleculesCharge (physics)Code (set theory)Interatomic potentialAlgorithmMoleculePhysicsStatistical physicsSet (abstract data type)MathematicsQuantum mechanicsMolecular dynamicsGeometryMathematical analysis

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Publication Info

Year
1998
Type
article
Volume
108
Issue
2-3
Pages
180-190
Citations
104
Access
Closed

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Paul L. A. Popelier (1998). A method to integrate an atom in a molecule without explicit representation of the interatomic surface. Computer Physics Communications , 108 (2-3) , 180-190. https://doi.org/10.1016/s0010-4655(97)00121-5

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DOI
10.1016/s0010-4655(97)00121-5