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	1.	Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics. [electronic resource] by Møgelhøj, Andreas Aidas, Kestutis Mikkelsen, Kurt V Sauer, Stephan P A Kongsted, Jacob Producer: 20090807 In: The Journal of chemical physics vol. 130 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Solvent effects on NMR isotropic shielding constants. a comparison between explicit polarizable discrete and continuum approaches. [electronic resource] by Aidas, Kestutis Møgelhøj, Andreas Kjaer, Hanna Nielsen, Christian B Mikkelsen, Kurt V Ruud, Kenneth Christiansen, Ove Kongsted, Jacob Producer: 20070628 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	On the performance of quantum chemical methods to predict solvatochromic effects: the case of acrolein in aqueous solution. [electronic resource] by Aidas, Kestutis Møgelhoj, Andreas Nilsson, Elna J K Johnson, Matthew S Mikkelsen, Kurt V Christiansen, Ove Söderhjelm, Pär Kongsted, Jacob Producer: 20080728 In: The Journal of chemical physics vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like. [electronic resource] by Møgelhøj, Andreas Kelkkanen, André K Wikfeldt, K Thor Schiøtz, Jakob Mortensen, Jens Jørgen Pettersson, Lars G M Lundqvist, Bengt I Jacobsen, Karsten W Nilsson, Anders Nørskov, Jens K Producer: 20120321 In: The journal of physical chemistry. B vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)