1994•Journal of Molecular StructureRequires access

Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data

Antonio Grassi, Giuseppe M. Lombardo, Giuseppe Pappalardo

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Key concepts: Chemistry, Ab initio, Force field (fiction), Computational chemistry, Potential energy surface, Field (mathematics), Maxima and minima, Atom (system on chip)

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Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data — Research Paper | ScholarLens