Zobrazeno 1 - 10
of 103
pro vyhledávání: '"Goursot, Annick"'
Publikováno v:
Main Group Metal Chemistry, Vol 22, Iss 3, Pp 201-207 (1999)
Externí odkaz:
https://doaj.org/article/460f246e4c5a443ea66393da79eb1ce5
Publikováno v:
Main Group Metal Chemistry, Vol 22, Iss 3, Pp 185-200 (1999)
Externí odkaz:
https://doaj.org/article/44ce9ff8e4024f9cb9c190c50cf6e702
Publikováno v:
Main Group Metal Chemistry, Vol 21, Iss 2, Pp 69-76 (1998)
Externí odkaz:
https://doaj.org/article/3040f4cb1a6e4b5a84102e3ffe129987
Autor:
Krishnamurty, Sailaja, Stefanov, Milen, Mineva, Tzonka, Begu, Sylvie, Devoisselle, Jean Marie, Goursot, Annick, Zhu, Rui, Salahub, Dennis R.
This computational experiment demonstrates that chain melting in lipids is a molecular process. BOMD is certainly the best method to reproduce such dynamics properties, since the electronic contributions to the various molecular structures sampled by
Externí odkaz:
http://arxiv.org/abs/0806.0822
The structural, electronic and the bonding properties of the Sn-BEA are investigated by using the periodic density functional theory. Each of the 9 different T-sites in the BEA were substituted by the Sn atom and all the 9 geometries were completely
Externí odkaz:
http://arxiv.org/abs/cond-mat/0504159
We have performed ab initio molecular dynamics simulations to study the nature of the synchronous double proton transfer in formic acid dimer. In order to understand the evolution of the bonding during the double proton transfer, we have used the ele
Externí odkaz:
http://arxiv.org/abs/cond-mat/0412310
Publikováno v:
In Catalysis Today 2005 110(3):294-302
Publikováno v:
In Journal of Catalysis May-June 2003 216(1-2):324-332
Publikováno v:
In Microporous and Mesoporous Materials 2001 48(1):383-390
Autor:
Goursot, Annick1, Mineva, Tzonka1, Krishnamurty, Sailaja2, Salahub, Dennis R.3 dennis.salahub@ucalgary.ca
Publikováno v:
Canadian Journal of Chemistry. Oct2009, Vol. 87 Issue 10, p1261-1267. 6p. 2 Diagrams, 3 Charts, 1 Graph.