@article{oai:tohoku-mpu.repo.nii.ac.jp:00000126, author = {片岡, 正浩 and Kataoka, Masahiro and 佐藤, 継雄 and Sato, Tsuguo}, issue = {55}, journal = {東北薬科大学研究誌, Journal of Tohoku Pharmaceutical University}, month = {Dec}, note = {The molecular strucrures of chartarin and its isomers have been optimized by use of PM3 MO method.These molecules have been calculated to be planar.The calculated results for chartarin well agree with those for the chartarin part of the X-ray-determined structure of elsamicin A.CNDO/S calculations of chartarinand the observed spectrum.Further,PM3 and COSMO calculations show that both in the gas phase and in solvents,chartarin is the most stable.}, pages = {111--116}, title = {Chartarinと異性体の分子構造と電子スペクトルの計算}, year = {2008}, yomi = {カタオカ, マサヒロ and サトウ, ツグオ} }