Both the abstraction and substitution mechanisms for the reaction of NHf with H-and the abstraction mechanisms for the reaction with LiH in the gas phase have been investigated by theoretical methods. LiH results to be a better reagent and reactions with and without scrambling are competitive in acc
β¦ LIBER β¦
An ab initio and semiempirical approach to the reaction of zinc hydride with formaldehyde
β Scribed by F. Orsini; F. Pelizzoni; D.D. Shillady; L.M. Vallarino
- Book ID
- 119117202
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 148 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
An ab initio study of the reaction of am
β
Gabriele Morosi; Massimo Simonetta
π
Article
π
1977
π
Elsevier Science
π
English
β 345 KB
An ab initio approach to the mechanism o
β
Shigeru Nagase; Yukitaka Uchibori
π
Article
π
1982
π
Elsevier Science
π
French
β 188 KB
Ab initio mechanisms for the addition of
β
Kaufmann, Elmar; Schleyer, Paul v. R.; Houk, Kendall N.; Wu, Yun Dong
π
Article
π
1985
π
American Chemical Society
π
English
β 370 KB
An ab initio SCF-MO study of the decompo
β
Jesus M. Ugalde
π
Article
π
1992
π
Elsevier Science
π
English
β 495 KB
Comparison of semiempirical and bsse cor
β
Oscar N. Ventura; Elena L. CoitiΓ±o; Kenneth Irving; Adriana Iglesias; AgustΓ Lle
π
Article
π
1990
π
Elsevier Science
π
English
β 970 KB
Analysis of the gas-phase addition of wa
β
Oscar N. Ventura; Elena L. CoitiΓ±O; AgustΓ LledΓ³s; Juan Bertran
π
Article
π
1992
π
John Wiley and Sons
π
English
β 849 KB
Semiempirical AM1, MNDO-PM3, and MNDO/M, as well as ab initio Hartree-Fock and Moller-Plesset calculations using the 4-31G, 6-31G(d,p), and 6-31 +G(d,p) basis sets have been done on the water-assisted addition of water to formaldehyde. Ab initio methods predict a reduction of 30% of the bimolecular