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Excitation energy, ionization potential, and electron affinity RHF approach

From the differential maps we can estimate (by comparison with standard substances)  [Pg.389]

1) the strength of a chemical bond via the value of the positive electron density at the bond, [Pg.389]

2) the deviation of the bond electron density (perpendicular intersection) from the cylindrical symmetry, which gives information on the tt character of the chemical bond, [Pg.389]

3) the shift of the maximum electron density towards one of the atoms which indicates the polarization of the bond, bond [Pg.389]


Excitation Energy, Ionization Potential, and Electron Affinity (RHF Approach)... [Pg.458]

Excitation energy, ionization potential, and electron affinity (RHF approach) (A) p. 389... [Pg.325]

EXCITATION ENERGY, IONIZATION POTENTIAL, AND ELECTRON AFFINITY (RHF APPROACH)... [Pg.389]


See other pages where Excitation energy, ionization potential, and electron affinity RHF approach is mentioned: [Pg.649]   


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And potential energy

Electron affinity

Electron affinity, and

Electronic Approach

Electronic affinity

Electronic energy potential

Electronic excitation energy

Electronic excited

Electronic ionization potential

Electronic potentials

Electronical excitation

Electrons electron affinity

Electrons excitation

Electrons excitation energy

Electrons ionization and

Electrons ionization energy

Electrons, excited

Energy approaches

Energy electron affinity

Energy electron affinity and

Energy excited electronic

Excitation and Ionization Energies

Excitation energy

Ionization energies and electron

Ionization energy

Ionization energy electron affinity

Ionization potential

Ionization potential and electron affinity

Ionization potential energy

Ionizing energy

Potential energy electron

Potentials and Electron Affinities

RHF

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