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	1.	Noncollinear Spin States for Density Functional Calculations of Open-Shell and Multi-Configurational Systems: Dissociation of MnO and NiO and Barrier Heights of O3, BeH2, and H4. [electronic resource] by Luo, Sijie Truhlar, Donald G Producer: 20151222 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	How Evenly Can Approximate Density Functionals Treat the Different Multiplicities and Ionization States of 4d Transition Metal Atoms? [electronic resource] by Luo, Sijie Truhlar, Donald G Producer: 20151130 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Improved CO Adsorption Energies, Site Preferences, and Surface Formation Energies from a Meta-Generalized Gradient Approximation Exchange-Correlation Functional, M06-L. [electronic resource] by Luo, Sijie Zhao, Yan Truhlar, Donald G Producer: 20150922 In: The journal of physical chemistry letters vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Validation of electronic structure methods for isomerization reactions of large organic molecules. [electronic resource] by Luo, Sijie Zhao, Yan Truhlar, Donald G Producer: 20111118 In: Physical chemistry chemical physics : PCCP vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Computational Electrochemistry. Voltages of Lithium-Ion Battery Cathodes. [electronic resource] by Wang, Bo Luo, Sijie Truhlar, Donald G Producer: 20160708 In: The journal of physical chemistry. B vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Ligand-Mediated Ring → Cube Transformation in a Catalytic Subnanocluster: Co4O4(MeCN)n with n = 1-6. [electronic resource] by Luo, Sijie Dibble, Collin J Duncan, Michael A Truhlar, Donald G Producer: 20150819 In: The journal of physical chemistry letters vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Density Functional Theory of Open-Shell Systems. The 3d-Series Transition-Metal Atoms and Their Cations. [electronic resource] by Luo, Sijie Averkiev, Boris Yang, Ke R Xu, Xuefei Truhlar, Donald G Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Correction to Multiconfiguration Pair-Density Functional Theory. [electronic resource] by Li Manni, Giovanni Carlson, Rebecca K Luo, Sijie Ma, Dongxia Olsen, Jeppe Truhlar, Donald G Gagliardi, Laura Producer: 20160519 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Multiconfiguration Pair-Density Functional Theory. [electronic resource] by Li Manni, Giovanni Carlson, Rebecca K Luo, Sijie Ma, Dongxia Olsen, Jeppe Truhlar, Donald G Gagliardi, Laura Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals. [electronic resource] by Janthon, Patanachai Luo, Sijie Andy Kozlov, Sergey M Viñes, Francesc Limtrakul, Jumras Truhlar, Donald G Illas, Francesc Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Single-ion magnetic anisotropy and isotropic magnetic couplings in the metal-organic framework Fe2(dobdc). [electronic resource] by Maurice, Rémi Verma, Pragya Zadrozny, Joseph M Luo, Sijie Borycz, Joshua Long, Jeffrey R Truhlar, Donald G Gagliardi, Laura Producer: 20140311 In: Inorganic chemistry vol. 52 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)