Ab initio quantum chemical studies of six-center bond exchange reactions among halogen and halogen halide molecules

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Ab initio quantum chemical studies of six-center bond exchange reactions among halogen and halogen halide molecules

The possibility of six-center bond exchange reaction among halogen and halogen halide molecules is confirmed using ab initio quantum chemical methods. The following reactions: (Cl2)2 + Br2 → 2 BrCl + Cl2; (Cl2)2 + HI → HCl + ICI + Cl2 and (HI)2 + F2 → HF + HI + IF were studied. The energy barrier fo...

書誌詳細
出版年:	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
第一著者:	2-s2.0-38049116005
フォーマット:	Conference paper
言語:	English
出版事項:	Springer Verlag 2007
オンライン･アクセス:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-38049116005&doi=10.1007%2f978-3-540-72586-2_48&partnerID=40&md5=30ff699353469ea3d4690300c11e7c9a

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