𝔖 Bobbio Scriptorium
✦   LIBER   ✦

1,3(n-π*) excited states of benzaldehyde

✍ Scribed by R D Tewari; P C Mishra

Book ID
112910234
Publisher
Springer-Verlag
Year
1985
Tongue
English
Weight
346 KB
Volume
25
Category
Article
ISSN
0304-4289

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic structure of benzaldehyde: A
Electronic structure of benzaldehyde: A comparative study of the lowest excited singlet π* ← π and π* ← n states
✍ 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

Excitation energies of the n → π* 3A″ an
Excitation energies of the n → π* 3A″ and π → π* 3A′ states of acrolein
✍ 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

On some properties of the lowest nπ* and
On some properties of the lowest nπ* and ππ* triplet states of benzaldehyde
✍ C. Mijoule; P. Yvan 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 391 KB

Scmi-cmpnlck~l calculations dre rcportcd for the lowest nn\* and BIT\* clcctromc triplet statcs of berwaldchydc. IIqulhbrmm gcomctrws, spin drpole-dlpolc and spin-orbIt contributions to the 2I.S paramcterr; ns well .IS oscillator strcngthP 1) + SO arc presented and discussed for both states.