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	1.	Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximation. [electronic resource] by Devarajan, Ajitha Gaenko, Alexander Autschbach, Jochen Producer: 20090728 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.	Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase--a density functional study. [electronic resource] by Devarajan, Ajitha Gaenko, Alexander V Ryde, Ulf Producer: 20080905 In: Journal of inorganic biochemistry vol. 102 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Implementation of dynamical nucleation theory effective fragment potentials method for modeling aerosol chemistry. [electronic resource] by Devarajan, Ajitha Windus, Theresa L Gordon, Mark S Producer: 20120402 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	The role of axial ligands for the structure and function of chlorophylls. [electronic resource] by Heimdal, Jimmy Jensen, Kasper P Devarajan, Ajitha Ryde, Ulf Producer: 20070208 In: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds-potential emissive and electron transport materials. [electronic resource] by Gaenko, Alexander V Devarajan, Ajitha Tselinskii, Igor V Ryde, Ulf Producer: 20070816 In: The journal of physical chemistry. A vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenes. [electronic resource] by Devarajan, Ajitha Gaenko, Alexander V Khait, Yuri G Hoffmann, Mark R Producer: 20080408 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Spectral and density functional studies on the absorbance and fluorescence spectra of 2-R-5-phenyl-1,3,4-oxadiazoles and their conjugate acids. [electronic resource] by Gaenko, Alexander V Devarajan, Ajitha Trifonov, Rostislav E Ostrovskii, Vladimir A Producer: 20071128 In: The journal of physical chemistry. A vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose. [electronic resource] by Markutsya, Sergiy Devarajan, Ajitha Baluyut, John Y Windus, Theresa L Gordon, Mark S Lamm, Monica H Producer: 20140110 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Ab initio study of molecular interactions in cellulose Iα. [electronic resource] by Devarajan, Ajitha Markutsya, Sergiy Lamm, Monica H Cheng, Xiaolin Smith, Jeremy C Baluyut, John Y Kholod, Yana Gordon, Mark S Windus, Theresa L Producer: 20140328 In: The journal of physical chemistry. B vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)