Pauling's Conceptions of Hybridization and Resonance in Modern Quantum Chemistry

Overview

Journal Molecules

Publisher MDPI

Specialty Biology

Date 2021 Jul 24

PMID 34299384

Citations 4

Authors

Eric D Glendening

Frank Weinhold

Affiliations

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Abstract

We employ the tools of natural bond orbital (NBO) and natural resonance theory (NRT) analysis to demonstrate the robustness, consistency, and accuracy with which Linus Pauling's qualitative conceptions of directional hybridization and resonance delocalization are manifested in all known variants of modern computational quantum chemistry methodology.

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