Seven chemical separations to change the world DS Sholl, RP Lively Nature 532 (7600), 435-437, 2016 | 3615 | 2016 |
Density functional theory: a practical introduction DS Sholl, JA Steckel John Wiley & Sons, 2022 | 2538 | 2022 |
TCE dechlorination rates, pathways, and efficiency of nanoscale iron particles with different properties Y Liu, SA Majetich, RD Tilton, DS Sholl, GV Lowry Environmental science & technology 39 (5), 1338-1345, 2005 | 1002 | 2005 |
Rapid transport of gases in carbon nanotubes AI Skoulidas, DM Ackerman, JK Johnson, DS Sholl Physical review letters 89 (18), 185901, 2002 | 842 | 2002 |
Computation-ready, experimental metal–organic frameworks: A tool to enable high-throughput screening of nanoporous crystals YG Chung, J Camp, M Haranczyk, BJ Sikora, W Bury, V Krungleviciute, ... Chemistry of Materials 26 (21), 6185-6192, 2014 | 704 | 2014 |
Can metal–organic framework materials play a useful role in large‐scale carbon dioxide separations? S Keskin, TM van Heest, DS Sholl ChemSusChem 3 (8), 879-891, 2010 | 657 | 2010 |
Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019 YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ... Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019 | 620 | 2019 |
Chiral selection on inorganic crystalline surfaces RM Hazen, DS Sholl Nature materials 2 (6), 367-374, 2003 | 551 | 2003 |
Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations AI Skoulidas, DS Sholl The Journal of Physical Chemistry B 109 (33), 15760-15768, 2005 | 522 | 2005 |
Nanoscale design to enable the revolution in renewable energy J Baxter, Z Bian, G Chen, D Danielson, MS Dresselhaus, AG Fedorov, ... Energy & Environmental Science 2 (6), 559-588, 2009 | 472 | 2009 |
Chemically meaningful atomic charges that reproduce the electrostatic potential in periodic and nonperiodic materials TA Manz, DS Sholl Journal of Chemical Theory and Computation 6 (8), 2455-2468, 2010 | 462 | 2010 |
From water to organics in membrane separations RP Lively, DS Sholl Nature materials 16 (3), 276-279, 2017 | 436 | 2017 |
The materials genome in action: identifying the performance limits for methane storage CM Simon, J Kim, DA Gomez-Gualdron, JS Camp, YG Chung, RL Martin, ... Energy & Environmental Science 8 (4), 1190-1199, 2015 | 397 | 2015 |
Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory KS Walton, DS Sholl AIChE Journal 61 (9), 2757-2762, 2015 | 388 | 2015 |
UltemŽ/ZIF-8 mixed matrix hollow fiber membranes for CO2/N2 separations Y Dai, JR Johnson, O Karvan, DS Sholl, WJ Koros Journal of Membrane Science 401, 76-82, 2012 | 377 | 2012 |
Exploring the framework hydrophobicity and flexibility of ZIF-8: from biofuel recovery to hydrocarbon separations K Zhang, RP Lively, C Zhang, RR Chance, WJ Koros, DS Sholl, S Nair The Journal of Physical Chemistry Letters 4 (21), 3618-3622, 2013 | 361 | 2013 |
Defects in metal–organic frameworks: challenge or opportunity? DS Sholl, RP Lively The journal of physical chemistry letters 6 (17), 3437-3444, 2015 | 353 | 2015 |
Identification of destabilized metal hydrides for hydrogen storage using first principles calculations SV Alapati, JK Johnson, DS Sholl The Journal of Physical Chemistry B 110 (17), 8769-8776, 2006 | 353 | 2006 |
Progress, opportunities, and challenges for applying atomically detailed modeling to molecular adsorption and transport in metal− organic framework materials S Keskin, J Liu, RB Rankin, JK Johnson, DS Sholl Industrial & Engineering Chemistry Research 48 (5), 2355-2371, 2009 | 351 | 2009 |
Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separations E Haldoupis, S Nair, DS Sholl Journal of the American Chemical Society 132 (21), 7528-7539, 2010 | 346 | 2010 |