Related Experiment Video
Updated: Aug 7, 2026

Label-free Single Molecule Detection Using Microtoroid Optical Resonators
Published on: December 29, 2015
A new analysis of molecular orbital wave functions based on resonance theory
Abstract:
A new method to evaluate the weights of resonance structures from molecular orbital wave function is proposed, which is based on the second quantization of singlet-coupling. The present method is useful to analyze molecules of which the electronic structures are well localizable. The evaluation is carried out through localization of molecular orbitals followed by algebraic calculation of density matrices. This method is applied to H(2)O, H(3)O(+), and BH(3). The calculated weights of covalent and ionic structures are in excellent agreement with those of the previous works and our chemical intuition.
Related Concept Videos
Molecular Orbital Theory I
Molecular Orbital Theory II
MO Theory and Covalent Bonding
Resonance and Hybrid Structures
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...
The de Broglie Wavelength

