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The Journal of Chemical Physics|July 17, 2017
Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte CarloAllison L Dzubak, Jaron T Krogel, Fernando A ReboredoInorganic Chemistry|December 14, 2011
A combined spectroscopic and computational study of a high-spin S = 7/2 diiron complex with a short iron-iron bondChristopher M Zall, Danylo Zherebetskyy, Allison L Dzubak, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 13, 2012
Assessing metal-metal multiple bonds in Cr-Cr, Mo-Mo, and W-W compounds and a hypothetical U-U compound: a quantum chemical study comparing DFT and multireference methodsGiovanni Li Manni, Allison L Dzubak, Abbas Mulla, et al.Chemical Science|March 6, 2020
Correction: CO2 induced phase transitions in diamine-appended metal-organic frameworksBess Vlaisavljevich, Sondre K Schnell, Allison L Dzubak, et al.Nature Chemistry|September 25, 2012
Ab initio carbon capture in open-site metal-organic frameworksAllison L Dzubak, Li-Chiang Lin, Jihan Kim, et al.The Journal of Chemical Physics|November 10, 2017
MnNiO3 revisited with modern theoretical and experimental methodsAllison L Dzubak, Chandrima Mitra, Michael Chance, et al.Chemical Science|July 19, 2017
CO2 induced phase transitions in diamine-appended metal-organic frameworksBess Vlaisavljevich, Samuel O Odoh, Sondre K Schnell, et al.Journal of the American Chemical Society|May 1, 2013
The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic frameworkNora Planas, Allison L Dzubak, Roberta Poloni, et al.Nature Chemistry|June 21, 2014
Oxidation of ethane to ethanol by N2O in a metal-organic framework with coordinatively unsaturated iron(II) sitesDianne J Xiao, Eric D Bloch, Jarad A Mason, et al.Journal of the American Chemical Society|December 10, 2013
Design of a metal-organic framework with enhanced back bonding for separation of N₂ and CH₄Kyuho Lee, William C Isley, Allison L Dzubak, et al.Pageof 2