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SPECTROSCOPIC PROPERTIES OF THE LOWEST-LYING EXCITED STATES OF 2-AMINOPYRIMIDINE, CYTOSINE, URACIL AND THEIR DERIVATIVES

✍ Scribed by Vladimir Kleinwachter; Jaroslav Drobnik; Leroy Augenstein


Book ID
114891105
Publisher
John Wiley and Sons
Year
1966
Tongue
English
Weight
501 KB
Volume
5
Category
Article
ISSN
0031-8655

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Half-projected Hartree–Fock calculations
✍ Prasanta K. Mukherjee; M. Luisa Senent; Yves G. Smeyers πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 158 KB πŸ‘ 1 views

Quantum chemical calculations have been performed in half-projected Ž . Hartree᎐Fock HPHF and CIS approaches for estimating the energy levels of the lowest two excited states of hydrogen peroxide. Geometry optimization was performed for the respective states at the equilibrium configuration with an