Bond Order Densities in Real Space

Casals-Sainz, JL; Fernandez-Alarcon, A; Francisco, E; Costales, A; Pendas, AM

Pendas, AM (corresponding author), Univ Oviedo, Oviedo 33006, Spain.

JOURNAL OF PHYSICAL CHEMISTRY A, 2020; 124 (2): 339

Abstract

In this contribution we introduce the concept of bond order density (BOD) on the basis of a previous work on natural adaptive orbitals. We show that B......

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