Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Goa Janssens"'
Autor:
Helge Toufar, K. Nulens, Robert A. Schoonheydt, and W. J. Mortier, Paul Geerlings, F. De Proft and, Goa Janssens
Publikováno v:
The Journal of Physical Chemistry. 100:15383-15387
The effect of the deformation of the electron cloud on the chemical hardness of atoms in molecules was studied by ab initio calculations at the CCSD(T)/6-31++G(d,p) level. The influence of the molecular environment generally results in an increased h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b57e37d5304233869089d38878f62f94
https://doi.org/10.1021/jp960693z
https://doi.org/10.1021/jp960693z
Publikováno v:
The Journal of Physical Chemistry. 100:19728-19734
The Electronegativity Equalization Method (EEM) is used to study the dependence of the basicity of faujasite-type zeolites on the Si:Al ratio, the cation type, and the type of oxygen. The model structures were obtained by distance least-squares optim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71da551e96833110374c4918c909dda1
https://doi.org/10.1021/jp9615619
https://doi.org/10.1021/jp9615619
Autor:
Goa Janssens, Helge Toufar, Robert A. Schoonheydt, RA Nalewajski, Wilfried Mortier, Bart G. Baekelandt
Publikováno v:
The Journal of Physical Chemistry. 99:9784-9794
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4cb76e0efb7fb8b27629a485dcc9464d
https://doi.org/10.1021/j100024a020
https://doi.org/10.1021/j100024a020
In this work, we have investigated the methylation of benzene, toluene nitrobenzene. A methoxide, formed by dehydration of methanol, is the methylating agent. Semi-empirical method, AM1, was applied to calculate the entire LRC of the reactions over t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94cfdc8dbf0414dfe174e9bfebccc553
https://doi.org/10.1016/s0167-2991(00)80364-x
https://doi.org/10.1016/s0167-2991(00)80364-x
Focusing on layered compounds at the core of materials intercalation chemistry, this reference comprehensively explores clays and other classes of materials exhibiting the ability to pillar, or establish permanent intracrystalline porosity within lay
The Handbook of Zeolite Science and Technology offers effective analyses ofsalient cases selected expressly for their relevance to current and prospective research. Presenting the principal theoretical and experimental underpinnings of zeolites, this