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A CNDO CI study of the electronic spectrum of photochromic 1,2-dihydronaphtalene

✍ Scribed by B. Tinland; C. Décoret


Publisher
Elsevier Science
Year
1971
Tongue
French
Weight
162 KB
Volume
12
Category
Article
ISSN
0040-4039

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✦ Synopsis


Recently several

authors' '2'3 reported their results from the photolysis of


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MRD-CI study of the electronic spectrum
✍ Z.-L. Cai; Gerhard Hirsch; Robert J. Buenker 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 550 KB

Ab initio electronic structure calculations are reported for 16 electronic states of Na2CI. Geometric parameters for the X 2A~ ground state are calculated at the SCF level and at the MRD-CI level by including 9 and 25 correlated electrons, respectively, with different basis sets. The potential energ