✦ LIBER ✦

Bond indices and heats of formation of some nitriles

✍ Scribed by J.B. Moffat; K.F. Tang

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 442 KB
Volume: 15
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(73)80004-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The heats of formation of some transitio

The heats of formation of some transition metal silicides

✍ D.A Robins; I Jenkins 📂 Article 📅 1955 🏛 Elsevier Science ⚖ 854 KB

A method is described for determining the heats of formation of highly stable metal silicides and data are given for the following compounds:-Ti& TiSi, TiSiz, Zr&, ZrSi, ZrSiz, ThSiz, V&i, Ta&, TaSi,, MoSiz, and WSi2. The highest heats of formation are those of compounds containing Group IVa metals

Hydrolysis and Formation of C—N Bonds: H

Hydrolysis and Formation of C—N Bonds: Hydrolysis of Nitriles

✍ Birgit Schulze 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 4 KB

## Abstract For Abstract see ChemInform Abstract in Full Text.

Improved semiempirical heats of formatio

Improved semiempirical heats of formation through the use of bond and group equivalents

✍ Matthew P. Repasky; Jayaraman Chandrasekhar; William L. Jorgensen 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB

## Abstract Deficiencies in energetics obtained using the common semiempirical methods, AM1, PM3, and MNDO, may partly be traced to the use of pseudoatomic equivalents for conversion of molecular energies to heats of formation at 298 K. We present an alternative scheme based on the use of bond and

Heats of vaporization and standard heats

Heats of vaporization and standard heats of formation of rare earth mononitrides

✍ J. Kordis; K.A. Gingerich 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 222 KB

Quantum monte carlo study of heats of fo

Quantum monte carlo study of heats of formation and bond dissociation energies of small hydrocarbons

✍ A. C. Kollias; D. Domin; G. Hill; M. Frenklach; D. M. Golden; W. A. Lester Jr. 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 125 KB

## Abstract A quantum Monte Carlo (QMC) benchmark study of heats of formation at 298 K and bond dissociation energies (BDEs) of 22 small hydrocarbons is reported. Diffusion Monte Carlo (DMC) results, obtained using a simple product trial wavefunctions consisting of a single determinant and correlat

Theoretical study of some nitriles: Intr

Theoretical study of some nitriles: Intramolecular hydrogen bonds and anomeric effect

✍ Berta Fernández; Saulo A. Vázquez; Miguel A. Ríos 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 492 KB

## Abstract An __ab initio__ study of 3‐chloro‐, 3‐hydroxy‐, 3‐mercapto‐, and 3‐amino‐propanenitrile and 4‐chloro‐bu‐ tanenitrile was carried out at several levels of theory. The calculated stabilities and geometrical trends are interpreted in terms of the effects of intramolecular hydrogen bonds a