๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ground and Excited States of Hemoglobin CO and Horseradish Peroxidase CO: SAC/SAC-CI Study

โœ Scribed by Tokita, Y.; Nakatsuji, H.


Book ID
125990677
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
185 KB
Volume
101
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ground and excited states of oxyheme: SA
โœ H. Nakatsuji; J. Hasegawa; H. Ueda; M. Hada ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 499 KB

The SAC(symmetrie adapted cluster)/SAC-CI(configuration interaction) mehtod is applied to the ground and low-lying excited states of oxyheme (FeC23N6OzHI6). The ground state (1~) is suitably represented by the Pauling model, Fe(II) (S = 0) + O2(~Ag). The SAC-CI result reproduces well the lower excit

Ground and excited states of carboxyheme
โœ H. Nakatsuji; Y. Tokita; J. Hasegawa; M. Hada ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 545 KB

The SAC (symmetry adapted cluster)/SAC-CI method is applied to calculations of the ground and excited states of carboxyheme (Fef24N6On16). The excited states are calculated up to 7.8 eV. The calculated excitation energies and oscillator strengths reproduce well the electronic spectrum. The Q bands a

Ground and excited states of Mg porphin
โœ J. Hasegawa; M. Hada; M. Nonoguchi; H. Nakatsuji ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 419 KB

The SAC (symmetry adapted cluster)/SAC-CI method is applied to the ground and excited states of magnesium porphin (MgP). The rr interaction between the Mg atom and the porphin ring is small and, therefore, the essential difference between MgP and free base porphin (FBP) lies in symmetry; the former