Year |
Citation |
Score |
2020 |
Carney J, Roundy D, Simon CM. Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33095580 DOI: 10.1021/acs.langmuir.0c02839 |
0.404 |
|
2020 |
Sturluson A, Sousa R, Zhang Y, Huynh MT, Laird C, York AHP, Silsby C, Chang CH, Simon CM. Curating metal-organic frameworks to compose robust gas sensor arrays in dilute conditions. Acs Applied Materials & Interfaces. PMID 31918544 DOI: 10.1021/Acsami.9B16561 |
0.372 |
|
2020 |
Raza A, Sturluson A, Simon CM, Fern X. Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks Journal of Physical Chemistry C. 124: 19070-19082. DOI: 10.1021/Acs.Jpcc.0C04903 |
0.401 |
|
2019 |
Sturluson A, Huynh MT, Kaija AR, Laird C, Yoon S, Hou F, Feng Z, Wilmer CE, Colón YJ, Chung YG, Siderius DW, Simon CM. The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation. Molecular Simulation. 45. PMID 31579352 DOI: 10.1080/08927022.2019.1648809 |
0.543 |
|
2019 |
Lorzing G, Gosselin E, Trump B, York A, Sturluson A, Rowland C, Yap GPA, Brown CM, Simon CM, Bloch ED. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society. PMID 31271534 DOI: 10.1021/Jacs.9B05872 |
0.534 |
|
2019 |
Simon CM, Carraro C. Multi- and instabilities in gas partitioning between nanoporous materials and rubber balloons. Proceedings. Mathematical, Physical, and Engineering Sciences. 475: 20180703. PMID 30853846 DOI: 10.1098/Rspa.2018.0703 |
0.424 |
|
2018 |
Sturluson A, Huynh MT, York AHP, Simon CM. Eigencages: Learning a Latent Space of Porous Cage Molecules. Acs Central Science. 4: 1663-1676. PMID 30648150 DOI: 10.1021/Acscentsci.8B00638 |
0.371 |
|
2018 |
Banerjee D, Simon CM, Elsaidi SK, Haranczyk M, Thallapally PK. Xenon Gas Separation and Storage Using Metal-Organic Frameworks Chem. 4: 466-494. DOI: 10.1016/J.Chempr.2017.12.025 |
0.527 |
|
2017 |
Li S, Chung YG, Simon CM, Snurr RQ. High-Throughput Computational Screening of Multivariate Metal-Organic Frameworks (MTV-MOFs) for CO2 Capture. The Journal of Physical Chemistry Letters. 8: 6135-6141. PMID 29206043 DOI: 10.1021/Acs.Jpclett.7B02700 |
0.42 |
|
2017 |
Elsaidi SK, Mohamed MH, Simon CM, Braun E, Pham T, Forrest KA, Xu W, Banerjee D, Space B, Zaworotko MJ, Thallapally PK. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical Science. 8: 2373-2380. PMID 28451342 DOI: 10.1039/C6Sc05012C |
0.447 |
|
2017 |
Thornton AW, Simon CM, Kim J, Kwon O, Deeg KS, Konstas K, Pas SJ, Hill MR, Winkler DA, Haranczyk M, Smit B. Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage. Chemistry of Materials : a Publication of the American Chemical Society. 29: 2844-2854. PMID 28413259 DOI: 10.1021/Acs.Chemmater.6B04933 |
0.579 |
|
2017 |
Jawahery S, Simon CM, Braun E, Witman M, Tiana D, Vlaisavljevich B, Smit B. Adsorbate-induced lattice deformation in IRMOF-74 series. Nature Communications. 8: 13945. PMID 28067222 DOI: 10.1038/Ncomms13945 |
0.675 |
|
2017 |
Simon CM, Braun E, Carraro C, Smit B. Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties. Proceedings of the National Academy of Sciences of the United States of America. PMID 28049851 DOI: 10.1073/Pnas.1613874114 |
0.595 |
|
2017 |
Thornton AW, Simon CM, Kim J, Kwon O, Deeg KS, Konstas K, Pas SJ, Hill MR, Winkler DA, Haranczyk M, Smit B. Correction to Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage Chemistry of Materials. 29: 10243-10243. DOI: 10.1021/Acs.Chemmater.7B04559 |
0.46 |
|
2016 |
Patil RS, Banerjee D, Simon CM, Atwood JL, Thallapally PK. Noria: A Highly Xe-Selective Nanoporous Organic Solid. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27377260 DOI: 10.1002/Chem.201602131 |
0.339 |
|
2016 |
Banerjee D, Simon CM, Plonka AM, Motkuri RK, Liu J, Chen X, Smit B, Parise JB, Haranczyk M, Thallapally PK. Metal-organic framework with optimally selective xenon adsorption and separation. Nature Communications. 7: ncomms11831. PMID 27291101 DOI: 10.1038/Ncomms11831 |
0.598 |
|
2016 |
Simon CM, Smit B, Haranczyk M. PyIAST: Ideal adsorbed solution theory (IAST) Python package Computer Physics Communications. 200: 364-380. DOI: 10.1016/J.Cpc.2015.11.016 |
0.532 |
|
2016 |
Patil RS, Banerjee D, Simon CM, Atwood JL, Thallapally PK. Frontispiece: Noria: A Highly Xe-Selective Nanoporous Organic Solid Chemistry - a European Journal. 22. DOI: 10.1002/Chem.201683661 |
0.316 |
|
2015 |
Feng D, Wang K, Wei Z, Chen YP, Simon CM, Arvapally RK, Martin RL, Bosch M, Liu TF, Fordham S, Yuan D, Omary MA, Haranczyk M, Smit B, Zhou HC. Corrigendum: Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal-organic frameworks. Nature Communications. 6: 6106. PMID 25652154 DOI: 10.1038/Ncomms7106 |
0.499 |
|
2015 |
Simon CM, Kim J, Gomez-Gualdron DA, Camp JS, Chung YG, Martin RL, Mercado R, Deem MW, Gunter D, Haranczyk M, Sholl DS, Snurr RQ, Smit B. The materials genome in action: Identifying the performance limits for methane storage Energy and Environmental Science. 8: 1190-1199. DOI: 10.1039/C4Ee03515A |
0.6 |
|
2015 |
Bao Y, Martin RL, Simon CM, Haranczyk M, Smit B, Deem MW. In silico discovery of high deliverable capacity metal-organic frameworks Journal of Physical Chemistry C. 119: 186-195. DOI: 10.1021/Jp5123486 |
0.637 |
|
2015 |
Simon CM, Mercado R, Schnell SK, Smit B, Haranczyk M. What Are the Best Materials to Separate a Xenon/Krypton Mixture? Chemistry of Materials. 27: 4459-4475. DOI: 10.1021/Acs.Chemmater.5B01475 |
0.608 |
|
2015 |
Gómez-Gualdrón DA, Simon CM, Lassman W, Chen D, Martin RL, Haranczyk M, Farha OK, Smit B, Snurr RQ. Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials Chemical Engineering Science. DOI: 10.1016/J.Ces.2016.02.030 |
0.631 |
|
2014 |
Feng D, Wang K, Wei Z, Chen YP, Simon CM, Arvapally RK, Martin RL, Bosch M, Liu TF, Fordham S, Yuan D, Omary MA, Haranczyk M, Smit B, Zhou HC. Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal-organic frameworks. Nature Communications. 5: 5723. PMID 25474702 DOI: 10.1038/Ncomms6723 |
0.529 |
|
2014 |
Martin RL, Simon CM, Smit B, Haranczyk M. In silico design of porous polymer networks: high-throughput screening for methane storage materials. Journal of the American Chemical Society. 136: 5006-22. PMID 24611543 DOI: 10.1021/Ja4123939 |
0.643 |
|
2014 |
Simon CM, Kim J, Lin LC, Martin RL, Haranczyk M, Smit B. Optimizing nanoporous materials for gas storage. Physical Chemistry Chemical Physics : Pccp. 16: 5499-513. PMID 24394864 DOI: 10.1039/C3Cp55039G |
0.678 |
|
2014 |
Martin RL, Simon CM, Medasani B, Britt DK, Smit B, Haranczyk M. In silico design of three-dimensional porous covalent organic frameworks via known synthesis routes and commercially available species Journal of Physical Chemistry C. 118: 23790-23802. DOI: 10.1021/Jp507152J |
0.596 |
|
2013 |
Martin RL, Shahrak MN, Swisher JA, Simon CM, Sculley JP, Zhou HC, Smit B, Haranczyk M. Modeling methane adsorption in interpenetrating porous polymer networks Journal of Physical Chemistry C. 117: 20037-20042. DOI: 10.1021/Jp406918D |
0.708 |
|
Show low-probability matches. |