𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio study of the reactivity of nitrosoketene with formaldehyde

✍ Scribed by Sihyun Ham; David M. Birney


Publisher
Elsevier Science
Year
1994
Tongue
French
Weight
301 KB
Volume
35
Category
Article
ISSN
0040-4039

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Further ab initio studies on the reactiv
✍ Sihyun Ham; David M. Birney πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 French βš– 220 KB

The cycloadditions of nitrosoketene with formaldehyde, acetone and 2-propenal were calculated using ab initio molecular orbital theory (MP2/6-31G\*). The reactions proceed by the [3+2] pathway via a concerted, planar and pseudopericyclic transition state with a significantly lower barrier

Predicting the reactivity of phenolic co
✍ Tohru Mitsunaga; Anthony H. Conner; Charles G. Hill Jr. πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 103 KB πŸ‘ 2 views

## Abstract Phenol–formaldehyde resins are important adhesives used by the forest products industry. The phenolic compounds in these resins are derived primarily from petrochemical sources. Alternate sources of phenolic compounds include tannins, lignins, biomass pyrolysis products, and coal gasifi

An ab initio study of HCuCO
✍ Charles W. Bauschlicher Jr. πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 358 KB

HCuCO is studied using a large Gaussian basis set at the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples (CCSD( T) ). In contrast with C&O, HCuCO is linear. The Cu-CO bond in HCuCO is significantly stronger than in CuCO. These differe

An ab initio study of the hydrated posit
✍ V.L. Bugaenko; V.L. Grishkin πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 284 KB

Ah initio calculations are presented for the hydration eneeJ\* of the positron. Tetrahedral molecular-dipole-oriented clusters e+(H,O), are considered. In performing these calculations, the Hartree-Fock MO LCAO SCF approximation \\ith the 4-31G split-valence basis set is used. The method \kas modifi