✦ LIBER ✦

Semiempirical quantum chemical calculation on the chlorophyll—water system and determination of excitonic characteristics of a model chloroplast

✍ Scribed by Sambhu Nath Datta; Satyam Priyadarshy

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 499 KB
Volume: 173
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)85284-j

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✦ Synopsis

Molecular orbitals of the chlorophyll-water system and its dimer have been calculated by the CNDO method. The CNDO/S excitation energies have been computed. Excitonic characteristics of a model crystal of chlorophyll-water molecules have been calculated. The dimensions of the model crystal are same as those of a typical thylakoid unit. Characteristics of the trap (chlorophyll special pair) have also been determined.

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