Valence–bond order (VBO): A new approach to modeling reactive potential energy surfaces for complex systems, materials, and nanoparticles

M Zhao, MA Iron, P Staszewski…

Index: Annales de Chimie (Cachan, France), , vol. <12>6, p. 835,839

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Citation Number: 10

Abstract

... Volume: Page ... on how the bond order is normalized because a different normalization would simply yield different optimized coefficients in expressions like eq 6 ... as follows where the valence V i of atom i is defined by and b ij has now become b ij,p . Four different ...