✦ LIBER ✦

A coupled-cluster and MBPT study of B2H6 and BH3

✍ Scribed by John F. Stanton; Rodney J. Bartlett; William N. Lipscomb

Book ID: 103024605
Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 577 KB
Volume: 138
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)80117-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Coupled cluster and MBPT study of nickel

Coupled cluster and MBPT study of nickel states

✍ E.A. Salter; L. Adamowicz; Rodney J. Bartlett 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 412 KB

MBPT and coupled-cluster investigation o

MBPT and coupled-cluster investigation of isomerization reactions: HCN .ltbbrac. = .rtbbrac. HNC, BH3CN- .ltbbrac. = .rtbbrac. BH3NC-, and HCNBH3 .ltbbrac. = .rtbbrac. HNCBH3

✍ Urban, Miroslav.; Bartlett, Rodney J. 📂 Article 📅 1988 🏛 American Chemical Society 🌐 English ⚖ 845 KB

Formation of [BH3]2- and [B2H6]2- From t

Formation of [BH3]2- and [B2H6]2- From the Homogeneous Reduction of B2H6

✍ Godfroid, Robert A.; Hill, Tara G.; Onak, Thomas P.; Shore, Sheldon G. 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 229 KB

MBPT And coupled-cluster activation barr

MBPT And coupled-cluster activation barriers. The model SN2 reaction: H−+CH3F*lrhar2;CH4+F−

✍ Miroslav Urban; Geerd H.F. Diercksen; Ivan Černušák; Zdeněk Havlas 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 276 KB

An alternative mechanism of BH2SH format

An alternative mechanism of BH2SH formation in the reaction of B2H6 with SH2: concerted elimination of BH3 and H2 from H2S ·B2H6. Ab initio MO study

✍ Alexander M. Mebel; Djamaladdin G. Musaev; Keiji Morokuma 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 411 KB

An alternative mechanism of mercaptoborane, BH,SH, formation is proposed for the reaction of BzHs with SH2. It involves concerted elimination of BH3 and H2 from the H2SB2Hs complex and the highest energy on the pathway relative to SH, + B2H6 is 27.4 kcal/mol at MP4(SDTQ)/6-31 +G(2d, p)//MP2(FULL)/6\

Dynamic electron transfers in B2H6and Cu

Dynamic electron transfers in B2H6and Cu(PH3)2(BH4)

✍ Kenai Hori; Akitomo Tachibana 📂 Article 📅 1986 🏛 Springer 🌐 English ⚖ 503 KB