𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of N(C)-H⋯H-B multi-dihydrogen bonds

✍ Scribed by Kun, Yuan ;Liu, YanZhi ;Lü, LingLing

Publisher
Elsevier
Year
2009
Tongue
English
Weight
745 KB
Volume
54
Category
Article
ISSN
2095-9273

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the CH bond dissoc
Theoretical study of the CH bond dissociation energy of acetylene
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff; Peter R. Taylor 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 612 KB

We present a theoretical study of the convergence of the C-H bond dissociation energy (Do) of acetylene with respect to both the one-and n-particle spaces. Our best estimate for Do of 130.1 f 1.0 kcal/mol is slightly below previous theoretical estimates, but substantially above the value determined

Theoretical study on structures and stab
Theoretical study on structures and stabilities of [H,Ge,C,N]
✍ Qiang Wang; Yi-Hong Ding; Hong-Bin Xie; Chia-Chung Sun 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 627 KB

## Abstract Theoretical investigations are performed for the first time on the simplest hydrogenated germanium cyanide [H,Ge,C,N], whose analogs [H,C~2~,N] and [H,Si,C,N] have been detected in space and laboratory, respectively. The detailed potential energy surfaces in both singlet and triplet sta

Theoretical study of the CH bond dissoc
Theoretical study of the CH bond dissociation energies of CH4, C2H2, C2H4, and H2C2O
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 554 KB

The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.