| Year |
Citation |
Score |
| 2021 |
Dutta S, Mukherjee S, Qazvini OT, Gupta AK, Sharma S, Mahato D, Babarao R, Ghosh SK. Three-in-One C2H2-Selectivity-Guided Adsorptive Separation across an Isoreticular Family of Cationic Square-Lattice MOFs. Angewandte Chemie (International Ed. in English). PMID 34797935 DOI: 10.1002/anie.202114132 |
0.53 |
|
| 2021 |
Macreadie LK, Qazvini OT, Babarao R. Reversing Benzene/Cyclohexane Selectivity through Varying Supramolecular Interactions Using Aliphatic, Isoreticular MOFs. Acs Applied Materials & Interfaces. PMID 34165976 DOI: 10.1021/acsami.1c08823 |
0.385 |
|
| 2021 |
Qazvini OT, Babarao R, Telfer SG. Selective capture of carbon dioxide from hydrocarbons using a metal-organic framework. Nature Communications. 12: 197. PMID 33420024 DOI: 10.1038/s41467-020-20489-2 |
0.434 |
|
| 2020 |
Setter CJ, Price MB, Conte L, Schmitt W, Batten SR, Richardson C, Hill MR, Babarao R, Macreadie LK. Mixed donor, phenanthroline photoactive MOFs with favourable CO selectivity. Chemical Communications (Cambridge, England). PMID 33034313 DOI: 10.1039/D0Cc05715K |
0.505 |
|
| 2020 |
Dutta S, Samanta P, Joarder B, Let S, Mahato D, Babarao R, Ghosh SK. A Water Stable Cationic MOF with Hydrophobic Pore Surface as Efficient Scavenger of Oxo-anion Pollutants from Water. Acs Applied Materials & Interfaces. PMID 32830959 DOI: 10.1021/Acsami.0C13563 |
0.382 |
|
| 2020 |
Abrahams BF, Babarao R, Dharma AD, Holmes JL, Hudson TA, Maynard-Casely HE, McGain F, Robson R, White KF. The Effect of Sterically Active Ligand Substituents on Gas Adsorption within a Family of 3D Zn-Based Coordination Polymers. Inorganic Chemistry. PMID 32515586 DOI: 10.1021/Acs.Inorgchem.0C00684 |
0.416 |
|
| 2020 |
Suwannakot P, Lisi F, Ahmed E, Liang K, Babarao R, Gooding JJ, Donald WA. Metal-organic framework-enhanced solid-phase microextraction mass spectrometry for the direct and rapid detection of perfluorooctanoic acid in environmental water samples. Analytical Chemistry. PMID 32329336 DOI: 10.1021/Acs.Analchem.9B05524 |
0.301 |
|
| 2020 |
Macreadie LK, Babarao R, Setter CJ, Lee SJ, Qazvini OT, Seeber AJ, Tsanaktsidis J, Telfer SG, Batten SR, Hill MR. Enhancing Multicomponent Metal-Organic Frameworks for Low Pressure Liquid Organic Hydrogen Carrier Separations. Angewandte Chemie (International Ed. in English). PMID 31984603 DOI: 10.1002/Anie.201916159 |
0.444 |
|
| 2020 |
Bloch WM, Babarao R, Schneider ML. On/off porosity switching and post-assembly modifications of Cu4L4 metal–organic polyhedra Chemical Science. 11: 3664-3671. DOI: 10.1039/D0Sc00070A |
0.333 |
|
| 2020 |
Mehla S, Kandjani AE, Babarao R, Lee AF, Periasamy S, Wilson K, Ramakrishna S, Bhargava SKK. Porous Crystalline Frameworks for Thermocatalytic CO2 Reduction: An Emerging Paradigm Energy and Environmental Science. DOI: 10.1039/D0Ee01882A |
0.386 |
|
| 2020 |
Gopalsamy K, Babarao R. Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study Industrial & Engineering Chemistry Research. 59: 15718-15731. DOI: 10.1021/Acs.Iecr.0C02449 |
0.388 |
|
| 2019 |
Ahmed H, Rezk AR, Richardson JJ, Macreadie LK, Babarao R, Mayes ELH, Lee L, Yeo LY. Acoustomicrofluidic assembly of oriented and simultaneously activated metal-organic frameworks. Nature Communications. 10: 2282. PMID 31123252 DOI: 10.1038/S41467-019-10173-5 |
0.347 |
|
| 2019 |
Qazvini OT, Babarao R, Shi ZL, Zhang YB, Telfer SG. A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification. Journal of the American Chemical Society. PMID 30860821 DOI: 10.1021/Jacs.9B00913 |
0.477 |
|
| 2019 |
Macreadie LK, Mensforth EJ, Babarao R, Konstas K, Telfer SG, Doherty CM, Tsanaktsidis J, Batten SR, Hill MR. CUB-5: A Contoured Aliphatic Pore Environment in a Cubic Frame-work with Potential for Benzene Separation Applications. Journal of the American Chemical Society. PMID 30776225 DOI: 10.1021/Jacs.8B13639 |
0.434 |
|
| 2019 |
Qazvini OT, Babarao R, Telfer SG. Multipurpose Metal–Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal Chemistry of Materials. 31: 4919-4926. DOI: 10.1021/Acs.Chemmater.9B01691 |
0.514 |
|
| 2019 |
Sharma A, Babarao R, Medhekar NV, Malani A. Computational design of multilayer frameworks to achieve DOE target for on-board methane delivery Carbon. 152: 206-217. DOI: 10.1016/J.Carbon.2019.05.083 |
0.354 |
|
| 2018 |
Desai AV, Joarder B, Roy A, Samanta P, Babarao R, Ghosh SK. Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks. Acs Applied Materials & Interfaces. PMID 30350937 DOI: 10.1021/Acsami.8B14420 |
0.457 |
|
| 2018 |
Sharma A, Babarao R, Medhekar NV, Malani A. Methane Adsorption and Separation in Slipped and Functionalized Covalent Organic Frameworks Industrial & Engineering Chemistry Research. 57: 4767-4778. DOI: 10.1021/Acs.Iecr.7B05031 |
0.478 |
|
| 2017 |
Sharma A, Huang R, Malani A, Babarao R. Computational materials chemistry for carbon capture using porous materials Journal of Physics D. 50: 463002. DOI: 10.1088/1361-6463/Aa87E9 |
0.423 |
|
| 2017 |
Damasceno Borges D, Normand P, Permiakova A, Babarao R, Heymans N, Galvao DS, Serre C, De Weireld G, Maurin G. Gas Adsorption and Separation by the Al-Based Metal–Organic Framework MIL-160 The Journal of Physical Chemistry C. 121: 26822-26832. DOI: 10.1021/Acs.Jpcc.7B08856 |
0.525 |
|
| 2017 |
Mukherjee S, Babarao R, Desai AV, Manna B, Ghosh SK. Polar Pore Surface Guided Selective CO2 Adsorption in a Prefunctionalized Metal–Organic Framework Crystal Growth & Design. 17: 3581-3587. DOI: 10.1021/Acs.Cgd.7B00141 |
0.645 |
|
| 2017 |
Auckett JE, Dharma AD, Cagnes MP, Darwish TA, Abrahams BF, Babarao R, Hudson TA, Robson R, White KF, Peterson VK. Lattice response of the porous coordination framework Zn(hba) to guest adsorption Powder Diffraction. 32: S49-S53. DOI: 10.1017/S0885715617000720 |
0.416 |
|
| 2016 |
Mukherjee S, Manna B, Desai AV, Yin Y, Krishna R, Babarao R, Ghosh SK. Harnessing Lewis acidic open metal sites of metal-organic frameworks: the foremost route to achieve highly selective benzene sorption over cyclohexane. Chemical Communications (Cambridge, England). PMID 27188914 DOI: 10.1039/C6Cc03015G |
0.598 |
|
| 2016 |
Li H, Hill MR, Huang R, Doblin C, Lim S, Hill AJ, Babarao R, Falcaro P. Facile stabilization of cyclodextrin metal-organic frameworks under aqueous conditions via the incorporation of C60 in their matrices. Chemical Communications (Cambridge, England). PMID 27055670 DOI: 10.1039/C6Cc01620K |
0.354 |
|
| 2016 |
Liang W, Coghlan CJ, Ragon F, Rubio-Martinez M, D'Alessandro DM, Babarao R. Defect engineering of UiO-66 for CO2 and H2O uptake - a combined experimental and simulation study. Dalton Transactions (Cambridge, England : 2003). PMID 26875692 DOI: 10.1039/C6Dt00189K |
0.431 |
|
| 2016 |
Thornton AW, Babarao R, Jain A, Trousselet F, Coudert FX. Defects in metal-organic frameworks: a compromise between adsorption and stability? Dalton Transactions (Cambridge, England : 2003). PMID 26733113 DOI: 10.1039/C5Dt04330A |
0.428 |
|
| 2016 |
Soni SK, Kabir KMM, Babarao R, Coyle VE, Sarkar S, Sabri YM, Bhargava SK. A QCM-based ‘on–off’ mechanistic study of gas adsorption by plasmid DNA and DNA–[Bmim][PF6] construct Rsc Advances. 6: 81318-81329. DOI: 10.1039/C6Ra14759C |
0.35 |
|
| 2016 |
Huang R, Hill MR, Babarao R, Medhekar NV. CO2 Adsorption in Azobenzene Functionalized Stimuli Responsive Metal-Organic Frameworks Journal of Physical Chemistry C. 120: 16658-16667. DOI: 10.1021/Acs.Jpcc.6B03541 |
0.511 |
|
| 2016 |
Babarao R, Rubio-Martinez M, Hill MR, Thornton AW. Interpenetrated Zirconium-Organic Frameworks: Small Cavities versus Functionalization for CO2 Capture Journal of Physical Chemistry C. 120: 13013-13023. DOI: 10.1021/Acs.Jpcc.6B01484 |
0.474 |
|
| 2016 |
Hu Z, Peng Y, Gao Y, Qian Y, Ying S, Yuan D, Horike S, Ogiwara N, Babarao R, Wang Y, Yan N, Zhao D. Direct Synthesis of Hierarchically Porous Metal-Organic Frameworks with High Stability and Strong Brønsted Acidity: The Decisive Role of Hafnium in Efficient and Selective Fructose Dehydration Chemistry of Materials. 28: 2659-2667. DOI: 10.1021/Acs.Chemmater.6B00139 |
0.349 |
|
| 2015 |
White KF, Abrahams BF, Babarao R, Dharma AD, Hudson TA, Maynard-Casely HE, Robson R. A New Structural Family of Gas-Sorbing Coordination Polymers Derived from Phenolic Carboxylic Acids. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26525776 DOI: 10.1002/Chem.201503252 |
0.348 |
|
| 2015 |
Liang W, Babarao R, Church TL, D'Alessandro DM. Tuning the cavities of zirconium-based MIL-140 frameworks to modulate CO2 adsorption. Chemical Communications (Cambridge, England). 51: 11286-9. PMID 26083475 DOI: 10.1039/C5Cc02539G |
0.501 |
|
| 2015 |
Liang W, Babarao R, Murphy MJ, D'Alessandro DM. The first example of a zirconium-oxide based metal-organic framework constructed from monocarboxylate ligands. Dalton Transactions (Cambridge, England : 2003). 44: 1516-9. PMID 25482606 DOI: 10.1039/C4Dt03183K |
0.375 |
|
| 2015 |
Ricco R, Konstas K, Styles MJ, Richardson JJ, Babarao R, Suzuki K, Scopece P, Falcaro P. Lead(II) uptake by aluminium based magnetic framework composites (MFCs) in water Journal of Materials Chemistry A. 3: 19822-19831. DOI: 10.1039/C5Ta04154F |
0.34 |
|
| 2015 |
Ahmed A, Babarao R, Huang R, Medhekar N, Todd BD, Hill MR, Thornton AW. Porous Aromatic Frameworks Impregnated with Lithiated Fullerenes for Natural Gas Purification Journal of Physical Chemistry C. 119: 9347-9354. DOI: 10.1021/Acs.Jpcc.5B01144 |
0.498 |
|
| 2014 |
Ahmed A, Xie Z, Konstas K, Babarao R, Todd BD, Hill MR, Thornton AW. Porous aromatic frameworks impregnated with fullerenes for enhanced methanol/water separation. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 14621-30. PMID 25380407 DOI: 10.1021/La503547N |
0.382 |
|
| 2014 |
Chandra S, Kundu T, Kandambeth S, Babarao R, Marathe Y, Kunjir SM, Banerjee R. Phosphoric acid loaded azo (-N═N-) based covalent organic framework for proton conduction. Journal of the American Chemical Society. 136: 6570-3. PMID 24758195 DOI: 10.1021/Ja502212V |
0.303 |
|
| 2014 |
Babarao R, Coghlan CJ, Rankine D, Bloch WM, Gransbury GK, Sato H, Kitagawa S, Sumby CJ, Hill MR, Doonan CJ. Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series. Chemical Communications (Cambridge, England). 50: 3238-41. PMID 24522229 DOI: 10.1039/C4Cc00700J |
0.511 |
|
| 2014 |
Hua C, Rawal A, Faust TB, Southon PD, Babarao R, Hook JM, D'Alessandro DM. Exploiting stable radical states for multifunctional properties in triarylamine-based porous organic polymers Journal of Materials Chemistry A. 2: 12466-12474. DOI: 10.1039/C4Ta01925C |
0.409 |
|
| 2013 |
Ahmed A, Thornton AW, Konstas K, Kannam SK, Babarao R, Todd BD, Hill AJ, Hill MR. Strategies toward enhanced low-pressure volumetric hydrogen storage in nanoporous cryoadsorbents. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 15689-97. PMID 24283466 DOI: 10.1021/La403864U |
0.356 |
|
| 2013 |
Chandra S, Kandambeth S, Biswal BP, Lukose B, Kunjir SM, Chaudhary M, Babarao R, Heine T, Banerjee R. Chemically stable multilayered covalent organic nanosheets from covalent organic frameworks via mechanical delamination. Journal of the American Chemical Society. 135: 17853-61. PMID 24168521 DOI: 10.1021/Ja408121P |
0.32 |
|
| 2013 |
Bloch WM, Babarao R, Hill MR, Doonan CJ, Sumby CJ. Post-synthetic structural processing in a metal-organic framework material as a mechanism for exceptional CO2/N2 selectivity. Journal of the American Chemical Society. 135: 10441-8. PMID 23758473 DOI: 10.1021/Ja4032049 |
0.422 |
|
| 2013 |
Leong CF, Faust TB, Turner P, Usov PM, Kepert CJ, Babarao R, Thornton AW, D'Alessandro DM. Enhancing selective CO2 adsorption via chemical reduction of a redox-active metal-organic framework. Dalton Transactions (Cambridge, England : 2003). 42: 9831-9. PMID 23519323 DOI: 10.1039/C3Dt00083D |
0.525 |
|
| 2013 |
Lau CH, Babarao R, Hill MR. A route to drastic increase of CO2 uptake in Zr metal organic framework UiO-66. Chemical Communications (Cambridge, England). 49: 3634-6. PMID 23482924 DOI: 10.1039/C3Cc40470F |
0.508 |
|
| 2013 |
Babarao R, Jiang Y, Medhekar NV. Postcombustion CO2 capture in functionalized porous coordination networks Journal of Physical Chemistry C. 117: 26976-26987. DOI: 10.1021/Jp409361J |
0.471 |
|
| 2012 |
Babarao R, Dai S, Jiang D. Nitrogen-Doped Mesoporous Carbon for Carbon Capture – A Molecular Simulation Study The Journal of Physical Chemistry C. 116: 7106-7110. DOI: 10.1021/Jp301450M |
0.453 |
|
| 2012 |
Babarao R, Custelcean R, Hay BP, Jiang DE. Computer-aided design of interpenetrated tetrahydrofuran-functionalized 3D covalent organic frameworks for CO 2 capture Crystal Growth and Design. 12: 5349-5356. DOI: 10.1021/Cg3009688 |
0.485 |
|
| 2011 |
Jiang J, Babarao R, Hu Z. Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal-organic frameworks to protein crystals. Chemical Society Reviews. 40: 3599-612. PMID 21512695 DOI: 10.1039/C0Cs00128G |
0.343 |
|
| 2011 |
Babarao R, Dai S, Jiang DE. Functionalizing porous aromatic frameworks with polar organic groups for high-capacity and selective CO2 separation: a molecular simulation study. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 3451-60. PMID 21351767 DOI: 10.1021/La104827P |
0.471 |
|
| 2011 |
Babarao R, Dai S, Jiang D. Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic-Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment Journal of Physical Chemistry C. 115: 8126-8135. DOI: 10.1021/Jp1117294 |
0.393 |
|
| 2011 |
Babarao R, Jiang JW. Cation Characterization and CO2 Capture in Li+-Exchanged Metal−Organic Frameworks: From First-Principles Modeling to Molecular Simulation† Industrial & Engineering Chemistry Research. 50: 62-68. DOI: 10.1021/Ie100214A |
0.466 |
|
| 2010 |
Babarao R, Eddaoudi M, Jiang JW. Highly porous ionic rht metal-organic framework for H2 and CO2 storage and separation: a molecular simulation study. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 11196-203. PMID 20504014 DOI: 10.1021/La100509G |
0.464 |
|
| 2010 |
Chen YF, Babarao R, Sandler SI, Jiang JW. Metal-organic framework MIL-101 for adsorption and effect of terminal water molecules: from quantum mechanics to molecular simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 8743-50. PMID 20102235 DOI: 10.1021/La904502H |
0.478 |
|
| 2010 |
Chen YF, Lee JY, Babarao R, Li J, Jiang JW. A Highly Hydrophobic Metal−Organic Framework Zn(BDC)(TED)0.5 for Adsorption and Separation of CH3OH/H2O and CO2/CH4: An Integrated Experimental and Simulation Study Journal of Physical Chemistry C. 114: 6602-6609. DOI: 10.1021/Jp1003177 |
0.511 |
|
| 2009 |
Nalaparaju A, Babarao R, Zhao XS, Jiang JW. Atomistic insight into adsorption, mobility, and vibration of water in ion-exchanged zeolite-like metal-organic frameworks. Acs Nano. 3: 2563-72. PMID 19708639 DOI: 10.1021/Nn900605U |
0.401 |
|
| 2009 |
Babarao R, Jiang J. Unprecedentedly high selective adsorption of gas mixtures in rho zeolite-like metal-organic framework: a molecular simulation study. Journal of the American Chemical Society. 131: 11417-25. PMID 19634913 DOI: 10.1021/Ja901061J |
0.448 |
|
| 2009 |
Babarao R, Tong YH, Jiang J. Molecular insight into adsorption and diffusion of alkane isomer mixtures in metal-organic frameworks. The Journal of Physical Chemistry. B. 113: 9129-36. PMID 19534507 DOI: 10.1021/Jp902253P |
0.443 |
|
| 2009 |
Babarao R, Jiang J, Sandler SI. Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated, and charged metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 5239-47. PMID 19099354 DOI: 10.1021/La803074G |
0.542 |
|
| 2009 |
Babarao R, Jiang J. Upgrade of natural gas in rhozeolite-like metal–organic framework and effect of water: a computational study Energy and Environmental Science. 2: 1088-1093. DOI: 10.1039/B909861E |
0.507 |
|
| 2009 |
Babarao R, Jiang J. Unraveling the Energetics and Dynamics of Ibuprofen in Mesoporous Metal−Organic Frameworks Journal of Physical Chemistry C. 113: 18287-18291. DOI: 10.1021/Jp906429S |
0.33 |
|
| 2008 |
Babarao R, Jiang J. Molecular screening of metal-organic frameworks for CO2 storage. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 6270-8. PMID 18484751 DOI: 10.1021/La800369S |
0.522 |
|
| 2008 |
Babarao R, Jiang J. Diffusion and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: a comparative study from molecular dynamics simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 5474-84. PMID 18433152 DOI: 10.1021/La703434S |
0.358 |
|
| 2008 |
Babarao R, Jiang J. Exceptionally high CO2storage in covalent-organic frameworks: Atomistic simulation study Energy and Environmental Science. 1: 139-143. DOI: 10.1039/B805473H |
0.381 |
|
| 2007 |
Babarao R, Hu Z, Jiang J, Chempath S, Sandler SI. Storage and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: a comparative study from Monte Carlo simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 659-66. PMID 17209617 DOI: 10.1021/La062289P |
0.501 |
|
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