Neutral and Alkaline Hydrolyses of Model β-Lactam Antibiotics. An ab Initio Study of Water Catalysis
✍ Scribed by Pitarch, Jesús; Ruiz-López, Manuel F.; Silla, Estanislao; Pascual-Ahuir, Juan-Luis; Tuñón, Iñaki
- Book ID
- 126322747
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 151 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The water‐catalyzed hydrolysis reaction of carbon disulfide (CS~2~) has been investigated at the levels of HF and MP2 with the basis set of 6‐311++G(d,p) using the combined supramolecular/continuum models, in which up to six water molecules are involved in the hydrolysis and the effect
## Abstract The alkaline hydrolysis reaction of ethylene phosphate (EP) has been investigated using a supermolecule model, in which several explicit water molecules are included. The structures and single‐point energies for all of the stationary points are calculated in the gas phase and in solutio
The *Zeolites and Mesporous Materials at the Dawn of the 21st Century* Proceedings are the expression of the oral and poster communications which where presented during the 13th International Zeolite Conference (IZC). They are subdivided into 32 thematic sessions starting from the genesis of materia