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	1.	Transition Metal Spin-State Energetics by MC-PDFT with High Local Exchange. [electronic resource] by Stoneburner, Samuel J Truhlar, Donald G Gagliardi, Laura Publication details: The journal of physical chemistry. A Feb 2020 In: The journal of physical chemistry. A vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	MC-PDFT can calculate singlet-triplet splittings of organic diradicals. [electronic resource] by Stoneburner, Samuel J Truhlar, Donald G Gagliardi, Laura Producer: 20180611 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks. [electronic resource] by Ongari, Daniele Tiana, Davide Stoneburner, Samuel J Gagliardi, Laura Smit, Berend Publication details: The journal of physical chemistry. C, Nanomaterials and interfaces Jul 2017 In: The journal of physical chemistry. C, Nanomaterials and interfaces vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study. [electronic resource] by Vogiatzis, Konstantinos D Li Manni, Giovanni Stoneburner, Samuel J Ma, Dongxia Gagliardi, Laura Producer: 20160310 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation. [electronic resource] by Jeong, WooSeok Stoneburner, Samuel J King, Daniel Li, Ruye Walker, Andrew Lindh, Roland Gagliardi, Laura Publication details: Journal of chemical theory and computation Apr 2020 In: Journal of chemical theory and computation vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data. [electronic resource] by Stoneburner, Samuel J Shen, Jun Ajala, Adeayo O Piecuch, Piotr Truhlar, Donald G Gagliardi, Laura Producer: 20180611 In: The Journal of chemical physics vol. 147 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Design of a metal-organic framework with enhanced back bonding for separation of N₂ and CH₄. [electronic resource] by Lee, Kyuho Isley, William C Dzubak, Allison L Verma, Pragya Stoneburner, Samuel J Lin, Li-Chiang Howe, Joshua D Bloch, Eric D Reed, Douglas A Hudson, Matthew R Brown, Craig M Long, Jeffrey R Neaton, Jeffrey B Smit, Berend Cramer, Christopher J Truhlar, Donald G Gagliardi, Laura Producer: 20140908 In: Journal of the American Chemical Society vol. 136 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)