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
✦ LIBER ✦
Theoretical Study of the Excited States of Chlorin, Bacteriochlorin, Pheophytin a , and Chlorophyll a by the SAC/SAC−CI Method
✍ Scribed by Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H.
- Book ID
- 121441765
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 106 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ground and excited states of Mg porphin
✍
J. Hasegawa; M. Hada; M. Nonoguchi; H. Nakatsuji
📂
Article
📅
1996
🏛
Elsevier Science
🌐
English
⚖ 419 KB
A Theoretical Study of the Excited State
✍
Parusel, Andreas B. J.; Grimme, Stefan
📂
Article
📅
2000
🏛
American Chemical Society
🌐
English
⚖ 54 KB
Excited States of Free Base Phthalocyani
✍
Toyota, Kazuo; Hasegawa, Jun-ya; Nakatsuji, Hiroshi
📂
Article
📅
1997
🏛
American Chemical Society
🌐
English
⚖ 254 KB
Geometries and energies of the excited s
✍
Masahide Terazima; Seigo Yamauchi; Noboru Hirota; Osamu Kitao; Hiroshi Nakatsuji
📂
Article
📅
1986
🏛
Elsevier Science
🌐
English
⚖ 574 KB
Excited states of GFP chromophore and ac
✍
Jun-Ya Hasegawa; Kazuhiro Fujimoto; Ben Swerts; Tomoo Miyahara; Hiroshi Nakatsuj
📂
Article
📅
2007
🏛
John Wiley and Sons
🌐
English
⚖ 441 KB
## Abstract Excited states of fluorescent proteins were studied using symmetry‐adapted cluster‐configuration interaction (SAC‐CI) method. Protein‐environmental effect on the excitation and fluorescence energies was investigated. In green fluorescent protein (GFP), the overall protein‐environmental
Electronic Structures of MoF 6 and MoOF
✍
Nakai, Hiromi; Morita, Hiroshi; Tomasello, Pasquale; Nakatsuji, Hiroshi
📂
Article
📅
1998
🏛
American Chemical Society
🌐
English
⚖ 159 KB