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The harmonic vibrational frequencies and the geometry of the 12C6H6

✍ Scribed by E Cané; A Miani; A Trombetti

Book ID
108312300
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
75 KB
Volume
340
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Ab initio calculations on the stabilizat
Ab initio calculations on the stabilization energy and vibrational frequencies of the C6H6…SF6 dimer
✍ H.-H. Ritze; W. Radloff 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 667 KB

The van der Waals complex benzene-SF, has been studied theoretically by ab initio calculations using MP2 theory. A C, symmetry has been found for the equilibrium configuration in contrast to the Cs, symmetry derived using a pairwise atom-atom Lennard-Jones potential. Thus, good agreement has been ac