Publicationlist for Theoretical tools

Publications regarding Heterolytic activation of methane by a homogeneous platinum catalyst:

 

Heiberg, H.; Johansson, L. G.; Ryan, O. B.; Swang, O.; Tilset, M.; Gropen, O. “A Combined Experimental and Density Functional Theory Investigation of Hydrocarbon Activation at a Cationic Platinum(II) Diimine Aqua Complex Under Mild Conditions in a Hydroxylic Solvent”, J. Am. Chem. Soc. 2000, 122, 10831.

 

Publications regarding Methanol to hydrocarbons:

Arstad, B; Kolboe, S; Swang, O ”A Theoretical Investigation on the Methylation of Methylbenzenes in Zeolites”, J. Phys. Chem. B 2002, 106, 12722

Svelle, S.; Kolboe, S.; Olsbye, U.; Swang, O "A Theoretical Investigation of the Methylation of Methylbenzenes and Alkenes by Halomethanes over Acidic Zeolites", J. Phys. Chem. B 2003, 107, 525

Svelle, S; Arstad, B; Swang, O; Kolboe, S "A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites", J. Phys. Chem. B 2003, 107, 9281

Arstad, B; Kolboe, S; Swang, O ”A Theoretical Investigation of the Alkylation of Benzene and Toluene by Ethene and Propene over Acidic Zeolites", J. Phys. Chem. B 2004, 108, 2300

Svelle. S.; Kolboe, S.; Swang, O. "Theoretical Investigation of the Dimerization of Linear Alkenes Catalyzed by Acidic Zeolites" J. Phys. Chem. B. 2004, 108, 2953

Svelle, S.; Kolboe, S.; Swang, O.; Olsbye, U., “Methylation of alkenes and methylbenzenes by dimethyl ether or methanol on acidic zeolites”, J. Phys. Chem. B 2005, 109, 12874

Arstad, B.; Kolboe, S.; Swang, O.: ”Theoretical study of the Heptamethylbenzenium Ion: Intramolecular reactions and C2, C3, and C4 alkene elimination”, J. Phys. Chem. A 2005, 109, 8914

Arstad, B.; Kolboe, S.; Swang, O. ” Theoretical study of carbon atom scrambling in benzenium ions with ethyl or isopropyl groups”, J. Phys. Org. Chem. 2006, 19, 81 

 

  

 

 

Publications regarding Complex hydrides as hydrogen storage materials:

 

Klaveness, A.; Fjellvåg, H.; Swang, O. “Formation Enthalpies of NaMgH3 and KMgH3: A  Computational Study”, Europhys. Lett., 2006, 76, 285

 

Fjellvåg, H.; Kjekshus, A.; Swang, O. “A new approach to identification and evaluation of complex hydrides for hydrogen storage”, manuscript in preparation.

 

 

 

Publications regarding Metal Organic framework as selective sorption of CO2:

 

Swang, O; Arstad, B.; Blom, R. Manuscript in preparation

Published November 6, 2006