Showing results (31-40 of 168) with videos related to
Sort By:
Pageof 17
Langmuir : the ACS Journal of Surfaces and Colloids|January 12, 2013
Computational screening of functional groups for ammonia capture in metal-organic frameworksKi Chul Kim, Decai Yu, Randall Q SnurrThe Journal of Physical Chemistry Letters|May 24, 2023
Computational Screening of Supported Metal Oxide Nanoclusters for Methane Activation: Insights into Homolytic versus Heterolytic C-H Bond DissociationHieu A Doan, Xijun Wang, Randall Q SnurrACS Applied Materials & Interfaces|April 11, 2017
Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles StudyPeilin Liao, Rachel B Getman, Randall Q SnurrThe Journal of Chemical Physics|November 13, 2007
Granular mixtures: analogy with chemical solution thermodynamicsB L Severson, R Q Snurr, J M OttinoJournal of Computational Chemistry|February 5, 2019
Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theoryAndrew S Rosen, Justin M Notestein, Randall Q SnurrJournal of Chemical Theory and Computation|March 19, 2021
Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal-Organic FrameworksSrinivasu Kancharlapalli, Arun Gopalan, Maciej Haranczyk, et al.The Journal of Physical Chemistry. A|May 23, 2009
DFT study of deNO(x) reactions in the gas phase: mimicking the reaction mechanism over BaNaY zeolitesChun-Yi Sung, Randall Q Snurr, Linda J BroadbeltLangmuir : the ACS Journal of Surfaces and Colloids|March 24, 2010
Evaluation of the BET method for determining surface areas of MOFs and zeolites that contain ultra-microporesYoun-Sang Bae, A Ozgür Yazaydin, Randall Q SnurrPhysical Review Letters|August 7, 2007
Liquid slip in nanoscale channels as a rate processSeth Lichter, Ashlie Martini, Randall Q Snurr, et al.The Journal of Physical Chemistry Letters|August 21, 2015
An Extended Charge Equilibration MethodChristopher E Wilmer, Ki Chul Kim, Randall Q SnurrPageof 17