NDLI: Type-itemized enumeration of quadruplets of RS-stereoisomers: II—cycle indices with chirality fittingness modulated by type-V quadruplets

Content Provider	Springer Nature Link
Author	Fujita, Shinsaku
Copyright Year	2015
Abstract	Fujita’s proligand method developed originally for combinatorial enumeration under point groups (Fujita in Theor Chem Acc 113:73–79, 2005) has been extended to meet combinatorial enumeration under Fujita’s stereoisogram approach (Fujita in J Org Chem 69:3158–3165, 2004). A new succinct method for type-itemized enumeration of quadruplets of RS-stereoisomers has been developed on the basis of cycle indices with chirality fittingness (CI–CF) modulated by type-V quadruplets, where CI–CFs for the subgroups of the corresponding RS-stereoisomeric group are used to calculate CI–CFs of the respective types (type I to type V). By introducing ligand-inventory functions to these CI–CFs, generating functions have been obtained to give the numbers of inequivalent quadruplets, which are itemized with respect to five types. The method using a modulated CI–CF is applied to enumerations based on an oxirane skeleton, an allene skeleton, and a tetrahedral skeleton. The relationship of RS-stereoisomers versus stereoisomers is discussed by referring to the enumeration results of oxirane derivatives.
Starting Page	310
Ending Page	330
Page Count	21
File Format	PDF
ISSN	02599791
Journal	Journal of Mathematical Chemistry
Volume Number	54
Issue Number	1
e-ISSN	15728897
Language	English
Publisher	Springer International Publishing
Publisher Date	2015-09-25
Publisher Place	Cham
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	RS-stereoisomer RS-stereoisomeric group Stereoisogram Type-itemized enumeration Physical Chemistry Theoretical and Computational Chemistry Math. Applications in Chemistry
Content Type	Text
Resource Type	Article
Subject	Applied Mathematics Chemistry

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