Molecular orbitals and electronic

Fig. 1. Schematic diagram of molecular orbitals and electronic transitions in the case of most polypyridyl Ru(II) complexes...

Thus pure MM (MM by itself) can t calculate UV spectra, the shapes and energies of molecular orbitals, and electron distribution and derivative properties of this, like atomic charges, dipole moments, and more arcane molecular features like bond paths (associated with atoms-in-molecules theory, AIM [1]). 

Molecular oxygen (or dioxygen) O2 and related species are involved in many chemical reactions. The valence molecular orbitals and electronic configurations of the homonuclear diatomic species O2 and Oj are shown in Fig. 16.1.1. 

Kobayashi N, Konami H (1999) Molecular orbitals and electronic spectra of phthalocyanine analoques. In Leznoff CC, Lever ABP (eds) Phthalocyanines properties and applications, vol 4, Chap 9. VCH, New York... 

Molecular orbitals and electron density contours formed from the combination... 

Information about character of molecular orbitals and electron distributions... 

Example 6.19. Energy levels for the allyl molecular orbitals and electron configurations of the allyl cation, radical, and anion. 

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