Experimental and theoretical study of the circular dichroism spectra of oxa- and thia- [2.2] metacyclophane
References (33)
- et al.
Chem. Phys. Letters
(1991) - et al.
Chem. Phys. Letters
(1991) - et al.
Chem. Phys. Letters
(1991) - et al.
Chem. Phys. Letters
(1992) - et al.
J. Am. Chem. Soc.
(1981) - et al.
Angew. Chem.
(1972) - et al.
J. Chem. Soc. Chem. Commun.
(1986) - (1974)
- et al.
J. Am. Chem. Soc.
(1986) - et al.
Chem. Ber.
(1988)
J. Am. Chem. Soc.
(1985)
J. Am. Chem. Soc.
(1981)
J. Chem. Phys.
(1965)
Theoret. Chim. Acta
(1974)
et al.Theoret. Chim. Acta
(1975)
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2018, Spectrochimica Acta - Part A: Molecular and Biomolecular SpectroscopyCitation Excerpt :In 1970's, however, Gould and Hoffmann successfully calculated optical activities of asymmetric small ketones by using the extended Hückel method [2], which was the first landmark of the computational studies on optical activities by one-electron theory. As for the semi-empirical methods, the prediction of optical activities by one-electron theory was later achieved by CNDO [3], AM1 [4], CNDO/S, INDO/S (ZINDO) [5], and was succeeded by modern versions RM1, PM3, PM6, and PM7 [6]. Nowadays, calculations of eigenfunctions from ab initio or DFT methods are not so difficult, thanks to rapid advances in computation resources.
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