Submit
Personalize
Your alerts
Your lists
Your searches
Help
de
en
fr
it
guest ::
login
Advanced Search
Search in fulltext
Save the 2 selected filters for next search
Refine my results
Document type
Articles
(2)
Institution
National
Consortium of Swiss Academic Libraries
(2)
Specific Collection
National Collections
(2)
Language
English
(2)
Author
Daul, Claude
(2)
Driz, Mohamed
(1)
Gruden-Pavlovic, Maja
(1)
Messekine, Souad
(1)
Sahnoun, Mohammed
(1)
Senn, Florian
(1)
Zlatar, Matija
(1)
Domain
Exact and natural sciences
(1)
Keyword
Ab-initio calculations
(1)
Computational chemistry
(1)
Conformation
(1)
Coordination chemistry
(1)
Density functional theory
(1)
Electronic properties
(1)
Ligand-field DFT
(1)
NMR spectroscopy
(1)
Pressure effect
(1)
Structural phase transition
(1)
Sorted by: Date of deposit
Date of deposit
Title
Author
Ascending
Descending
2
results
1
Postprint
Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT
Senn, Florian
;
Zlatar, Matija
;
Gruden-Pavlovic, Maja
;
Daul, Claude
In: Monatshefte für Chemie - Chemical Monthly, 2011, vol. 142, no. 6, p. 593-597
Postprint
The effect of pressure on the structural and electronic properties of yttrium orthovanadate YVO4 compound: total-energy calculations
Messekine, Souad
;
Sahnoun, Mohammed
;
Driz, Mohamed
;
Daul, Claude
In: Zeitschrift für Kristallographie, 2010, vol. 225, no. 11, p. 514-519