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	1.	First-principles calculations of zero-field splitting parameters. [electronic resource] by Ganyushin, Dmitry Neese, Frank Producer: 20070727 In: The Journal of chemical physics vol. 125 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	A fully variational spin-orbit coupled complete active space self-consistent field approach: application to electron paramagnetic resonance g-tensors. [electronic resource] by Ganyushin, Dmitry Neese, Frank Producer: 20130904 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)
	3.	First-principles calculations of magnetic circular dichroism spectra. [electronic resource] by Ganyushin, Dmitry Neese, Frank Producer: 20080513 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.	A multiconfigurational ab initio study of the zero-field splitting in the di- and trivalent hexaquo-chromium complexes. [electronic resource] by Liakos, Dimitrios G Ganyushin, Dmitry Neese, Frank Producer: 20100212 In: Inorganic chemistry vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(II) complexes. [electronic resource] by Sundararajan, Mahesh Ganyushin, Dmitry Ye, Shengfa Neese, Frank Producer: 20091228 In: Dalton transactions (Cambridge, England : 2003) no. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexes. [electronic resource] by Atanasov, Mihail Ganyushin, Dmitry Pantazis, Dimitrios A Sivalingam, Kantharuban Neese, Frank Producer: 20120103 In: Inorganic chemistry vol. 50 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approaches. [electronic resource] by Duboc, Carole Ganyushin, Dmitry Sivalingam, Kantharuban Collomb, Marie-Noëlle Neese, Frank Producer: 20110121 In: The journal of physical chemistry. A vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters. [electronic resource] by Ganyushin, Dmitry Gilka, Natalie Taylor, Peter R Marian, Christel M Neese, Frank Producer: 20100712 In: The Journal of chemical physics vol. 132 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Theoretical determination of the zero-field splitting in copper acetate monohydrate. [electronic resource] by Maurice, Rémi Sivalingam, Kanthen Ganyushin, Dmitry Guihéry, Nathalie de Graaf, Coen Neese, Frank Producer: 20111012 In: Inorganic chemistry vol. 50 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Direct detection and characterization of chloride in the active site of the low-pH form of sulfite oxidase using electron spin echo envelope modulation spectroscopy, isotopic labeling, and density functional theory calculations. [electronic resource] by Klein, Eric L Astashkin, Andrei V Ganyushin, Dmitry Riplinger, Christoph Johnson-Winters, Kayunta Neese, Frank Enemark, John H Producer: 20090723 In: Inorganic chemistry vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Exchangeable oxygens in the vicinity of the molybdenum center of the high-pH form of sulfite oxidase and sulfite dehydrogenase. [electronic resource] by Astashkin, Andrei V Klein, Eric L Ganyushin, Dmitry Johnson-Winters, Kayunta Neese, Frank Kappler, Ulrike Enemark, John H Producer: 20091125 In: Physical chemistry chemical physics : PCCP vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)