𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effect of Hydration on the Lowest Singlet ππ* Excited-State Geometry of Guanine: A Theoretical Study

✍ Scribed by Shukla, M. K.; Leszczynski, Jerzy


Book ID
126968886
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
484 KB
Volume
109
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Electronic structure of benzaldehyde: A
✍ S. K. Srivastava; P. C. Mishra 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 614 KB

## Abstract VE‐PPP, CNDO/2, and CNDO/s‐CI methods have been used to investigate the electronic spectrum and structure of benzaldehyde. Electronic charge distributions and bond orders in the ground and lowest excited singlet π\* ← π and π\* ← __n__ states of the molecule have been studied. The molec

A CASSCF study on the lowest π→π* excita
✍ Ari Lahti; Matti Hotokka; Kari Neuvonen; Gunnar Karlström 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 300 KB 👁 1 views

The photochemical cisrtrans isomerization of urocanic acid UCA, Ž . Ž X X . . E -3-1 H-imidazol-4 -yl propenoic acid was investigated using complete active space Ž . SCF CASSCF ab initio calculations. The singlet ground state and the triplet and the U Ž . singlet manifolds of the lowest-lying ª HOM

A theoretical study of the photodissocia
✍ Yoshihiro Osamura; Fujiko Mitsuhashi; Suehiro Iwata 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 353 KB

The potential energy surface of acetylene in its lowest excited singlet state (S,) is studied by using an ab initio MCSCF method to explore the mechanism of the photodissociation process, Predissociation leading to C2H and H suggested by the LIF spectrum is shown to occur on the single potential sur