𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical Study of the Molecular Properties of Cerium Trihalides and Tetrahalides CeXn (n = 3, 4; X = F, Cl)

✍ Scribed by Lanza, Giuseppe; Fragalà, Ignazio L.

Book ID
111900927
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
111 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

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.

A relativistic effective core potential
A relativistic effective core potential ab initio study of molecular geometries and vibrational frequencies of lanthanide trihalides LnX3 (Ln = Gd, Lu; X = F, Cl)
✍ Giuseppe Lanza; Ignazio L. Fragalà 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 467 KB

The equilibrium geometries and harmonic vibrational frequencies of some lanthanide trihalides LnX 3 (Ln ~ Gd, Lu; X -= F, CI) have been investigated using ab initio relativistic effective core potential Hartree-Fock, complete active space multiconfigurationai self-consistent field and second-order M