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Theoretical study of molecular interactions of sulfur ylide with HSX (X = F, Cl, and Br) molecules

✍ Scribed by Abedien Zabaradsti, Ali Kakanejadifard, Motaleb Ghasemian…


Book ID
120779587
Publisher
Springer
Year
2013
Tongue
English
Weight
466 KB
Volume
24
Category
Article
ISSN
1040-0400

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Theoretical study of XPO (X=H,F,Cl,Br) m
✍ Cristina Puzzarini 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 148 KB

A theoretical study has been performed on the ground state of XPO systems, where XZH, F, Cl, and Br. Structural and molecular properties have been calculated at high level of theory: the CCSD(T) method in conjunction with a hierarchical series of correlation consistent basis sets has been employed.