A semiempirical study of radical anions CY3X−· (Y=H, F, Cl and Br, X=Cl and Br)
✍ Scribed by E.D German; V.A Tikhomirov
- Book ID
- 114142641
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 298 KB
- Volume
- 423
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
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Atter e\posurr: to 7 ra)s~t 77 Ii (C113)2Al\ (Y = Cl, Br,or I) In soled solutton\ of tctrnmeth~Is~l~nc aavc six-lmc CSR ,pcctra \\~th a large II) perfine couplmg ChrlrrlCtcrlhtlc 01 '741 Jnd an JddtttonJl hJogcn sphttmg The results mdlcdte the tormatlon 01 (CH-J)~AIX-\i itll pvramtddl structure The
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.