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Theoretical analysis of the internal rotation, molecular structures and electronic properties of the XSSX series of molecules (X = H, F, Cl)

✍ Scribed by Gloria I. Cárdenas-Jirón; Cristián Cárdenas-Lailhacar; Alejandro Toro-Labbé

Book ID
113257847
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
832 KB
Volume
282
Category
Article
ISSN
0166-1280

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Theoretical study of XPO (X=H,F,Cl,Br) m
Theoretical study of XPO (X=H,F,Cl,Br) molecules: Structural and molecular properties
✍ 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.