𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibronic coupling of pyrene in the first ππ* excited state

✍ Scribed by P.R. Salvi; E. Castellucci; P. Foggi; R. Quacquarini


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
970 KB
Volume
83
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The theoretical description of the (ππ*)
✍ T.H. Dunning Jr.; W.J. Hunt; W.A. Goddard III 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 452 KB

It is shown that the excited singlet ($8 o --) state (v) of planar ethylene in both the Llarkee-Fdck zn& z-electron configuration interaction descriptions is quite diffuse. The extent of the F-orbital in the ii-direction as measured by (22) is 42 a$ in the V state as compared to 2.7 a; in the corres

Multiconfiguration wavefuntions for the
✍ Charles F. Bender; Thom.H. Dunning Jr.; Henry F. Schaefer III; William A. Goddar 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 848 KB

Ab initio calculations have been carried out for the T(3B,u) and V('BIu) states of ethylene in a planar nuclear conf@ration. A "double-zeta" gaussian basis, augmented by diffuse functions, was used. A wide variety of configuration interaction wavefunctions (including as many as 1605 configurations)

Excitation energies of the n → π* 3A″ an
✍ Robert R. Lucchese; Henry F. Schaefer III; Clifford E. Dykstra 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 283 KB

The vertical and adiabatic excitation energies between the ground and lowest two triplet states of acrolein were studied using ab initio correlated wavefunctions. A double zeta basis set was used in the configuration interaction calculations and each configuration expansion included about 6000 deter

Resonance Raman examination of the two l
✍ Sanford A. Asher; Zhenhuan Chi; Pusheng Li 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 204 KB 👁 1 views

The UV Raman spectra of N-methylacetamide (NMA) were measured in and between the visible H 2 O D 2 O spectral region and the UV region down to 184 nm. The Raman excitation proÐles indicate that all of the amide bands are resonance enhanced by the Ðrst dipole-allowed p Ç p\* transition at 190 nm. The