| Year |
Citation |
Score |
| 2020 |
Pal A, Chand S, Madden DG, Franz DM, Ritter L, Space B, Curtin T, Pal SC, Das MC. Immobilization of a Polar Sulfone Moiety onto the Pore Surface of a Humid Stable MOF for Highly Efficient CO2 Separation under Dry and Wet Environment through Direct CO2-Sulfone Interactions. Acs Applied Materials & Interfaces. PMID 32803939 DOI: 10.1021/Acsami.0C07380 |
0.401 |
|
| 2020 |
Elsaidi SK, Mohamed MH, Helal AS, Galanek M, Pham T, Suepaul S, Space B, Hopkinson D, Thallapally PK, Li J. Radiation-resistant metal-organic framework enables efficient separation of krypton fission gas from spent nuclear fuel. Nature Communications. 11: 3103. PMID 32555193 DOI: 10.1038/S41467-020-16647-1 |
0.343 |
|
| 2020 |
Zaworotko M, Mukherjee S, Chen S, Bezrukov A, Mostrom M, Terskikh V, Franz D, Wang S, Chen M, Kumar A, Huang Y, Space B. Ultramicropore engineering by dehydration to enable molecular sieving of H2 by calcium trimesate. Angewandte Chemie (International Ed. in English). PMID 32449818 DOI: 10.1002/Anie.202006414 |
0.315 |
|
| 2020 |
Pham T, Space B. Insights into the Gas Adsorption Mechanisms in Metal-Organic Frameworks from Classical Molecular Simulations. Topics in Current Chemistry (Cham). 378: 14. PMID 31933069 DOI: 10.1007/S41061-019-0276-X |
0.404 |
|
| 2020 |
Mukherjee S, He Y, Franz D, Wang SQ, Xian WR, Bezrukov A, Space B, Xu Z, He J, Zaworotko M. Halogen-C2H2 Binding in Ultramicroporous MOFs for Benchmark C2H2/CO2 Separation Selectivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31908047 DOI: 10.1002/Chem.202000008 |
0.353 |
|
| 2020 |
Suepaul S, Forrest KA, Pham T, Space B. Simulations of H2 Sorption in an Anthracene-Functionalized rht-Metal–Organic Framework Journal of Physical Chemistry C. 124: 13753-13764. DOI: 10.1021/Acs.Jpcc.0C02791 |
0.347 |
|
| 2020 |
Verma G, Kumar S, Vardhan H, Ren J, Niu Z, Pham T, Wojtas L, Butikofer S, Garcia JCE, Chen Y, Space B, Ma S. A robust soc-MOF platform exhibiting high gravimetric uptake and volumetric deliverable capacity for on-board methane storage Nano Research. 1-6. DOI: 10.1007/S12274-020-2794-9 |
0.305 |
|
| 2019 |
Mukherjee S, Sikdar N, O'Nolan D, Franz DM, Gascón V, Kumar A, Kumar N, Scott HS, Madden DG, Kruger PE, Space B, Zaworotko MJ. Trace CO capture by an ultramicroporous physisorbent with low water affinity. Science Advances. 5: eaax9171. PMID 31819904 DOI: 10.1126/Sciadv.Aax9171 |
0.324 |
|
| 2019 |
Yu MH, Space B, Franz DM, Zhou W, He C, Li L, Krishna R, Chang Z, Li W, Hu TL, Bu XH. Enhanced gas uptake in a microporous metal-organic frame-work via a sorbate induced-fit mechanism. Journal of the American Chemical Society. PMID 31603672 DOI: 10.1021/Jacs.9B07807 |
0.378 |
|
| 2019 |
Pal A, Chand S, Madden DG, Franz D, Ritter L, Johnson A, Space B, Curtin T, Das MC. A Microporous Co-MOF for Highly Selective CO Sorption in High Loadings Involving Aryl C-H···O═C═O Interactions: Combined Simulation and Breakthrough Studies. Inorganic Chemistry. PMID 31398018 DOI: 10.1021/Acs.Inorgchem.9B01402 |
0.391 |
|
| 2019 |
Han L, Pham T, Zhuo M, Forrest KA, Suepaul S, Space B, Zaworotko MJ, Shi W, Chen Y, Cheng P, Zhang Z. Molecular Sieving and Direct Visualization of CO2 in Binding Pockets of An Ultramicroporous Lanthanide MOF Platform. Acs Applied Materials & Interfaces. PMID 31184107 DOI: 10.1021/Acsami.9B04619 |
0.35 |
|
| 2019 |
Niu Z, Cui X, Pham T, Lan PC, Xing H, Forrest KA, Wojtas L, Space B, Ma S. A Metal-Organic Framework Based Methane Nano-trap for the Capture of Coal-Mine Methane. Angewandte Chemie (International Ed. in English). PMID 31115966 DOI: 10.1002/Anie.201904507 |
0.389 |
|
| 2019 |
Chen B, Peng YL, He C, Pham T, Wang T, Li P, Krishna R, Forrest K, Hogan A, Suepaul S, Space B, Fang M, Chen Y, Zaworotko M, Li J, et al. Robust Microporous Metal-Organic Frameworks for Highly Efficient and Simultaneous Removal of Propyne and Propadiene from Propylene. Angewandte Chemie (International Ed. in English). PMID 31059186 DOI: 10.1002/Anie.201904312 |
0.358 |
|
| 2019 |
Madden DG, O'Nolan D, Chen KJ, Hua C, Kumar A, Pham T, Forrest KA, Space B, Perry JJ, Khraisheh M, Zaworotko MJ. Highly selective CO removal for one-step liquefied natural gas processing by physisorbents. Chemical Communications (Cambridge, England). PMID 30806425 DOI: 10.1039/C9Cc00626E |
0.333 |
|
| 2019 |
Forrest KA, Pham T, Elsaidi SK, Mohamed MH, Thallapally PK, Zaworotko MJ, Space B. Investigating CO2 Sorption in SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn) through Computational Studies Crystal Growth & Design. 19: 3732-3743. DOI: 10.1021/Acs.Cgd.9B00086 |
0.376 |
|
| 2018 |
Peng YL, Pham T, Li P, Wang T, Chen Y, Chen KJ, Space B, Forrest K, Cheng P, Zhang Z, Zaworotko M. Robust Ultramicroporous Metal-Organic Frameworks with Benchmark Affinity for Acetylene. Angewandte Chemie (International Ed. in English). PMID 29972279 DOI: 10.1002/Anie.201806732 |
0.372 |
|
| 2018 |
Zaworotko M, Yang Q, Lama P, Sen S, Lusi M, Chen KJ, Gao W, Shivanna M, Pham T, Kusaka S, Hosono N, Perry J, Ma S, Space B, Barbour L, et al. Reversible switching between highly porous and non-porous phases of an interpenetrated diamondoid coordination network that exhibits gate-opening at methane storage pressures. Angewandte Chemie (International Ed. in English). PMID 29575465 DOI: 10.1002/Anie.201800820 |
0.322 |
|
| 2018 |
O'Nolan D, Madden DG, Kumar A, Chen KJ, Pham T, Forrest KA, Patyk-Kazmierczak E, Yang QY, Murray CA, Tang CC, Space B, Zaworotko MJ. Impact of partial interpenetration in a hybrid ultramicroporous material on CH/CHseparation performance. Chemical Communications (Cambridge, England). PMID 29561019 DOI: 10.1039/C8Cc01627E |
0.317 |
|
| 2018 |
Zaworotko M, Chen KJ, Yang QY, Sen S, Madden D, Kumar A, Pham T, Forrest K, Hosono N, Space B, Kitagwa S. Efficient CO2 Removal for Ultra-Pure CO Production by Two Hybrid Ultramicroporous Materials. Angewandte Chemie (International Ed. in English). PMID 29377460 DOI: 10.1002/Anie.201706090 |
0.369 |
|
| 2018 |
Pham T, Forrest KA, Furukawa H, Eckert J, Space B. Hydrogen Adsorption in a Zeolitic Imidazolate Framework with lta Topology The Journal of Physical Chemistry C. 122: 15435-15445. DOI: 10.1021/Acs.Jpcc.8B04027 |
0.371 |
|
| 2018 |
Suepaul S, Forrest KA, Pham T, Space B. Investigating the Effects of Linker Extension on H2 Sorption in the rht-Metal–Organic Framework NU-111 by Molecular Simulations Crystal Growth & Design. 18: 7599-7610. DOI: 10.1021/Acs.Cgd.8B01398 |
0.359 |
|
| 2018 |
Forrest KA, Franz DM, Pham T, Space B. Investigating C2H2 Sorption in α-[M3(O2CH)6] (M = Mg, Mn) Through Theoretical Studies Crystal Growth & Design. 18: 5342-5352. DOI: 10.1021/Acs.Cgd.8B00770 |
0.351 |
|
| 2017 |
Franz DM, Dyott ZE, Forrest KA, Hogan A, Pham T, Space B. Simulations of hydrogen, carbon dioxide, and small hydrocarbon sorption in a nitrogen-rich rht-metal-organic framework. Physical Chemistry Chemical Physics : Pccp. PMID 29270586 DOI: 10.1039/C7Cp06885A |
0.418 |
|
| 2017 |
Forrest KA, Pham T, Space B. Investigating gas sorption in an rht-metal-organic framework with 1,2,3-triazole groups. Physical Chemistry Chemical Physics : Pccp. PMID 29067398 DOI: 10.1039/C7Cp06128E |
0.429 |
|
| 2017 |
Bai J, Zhang M, Zhou W, Pham T, Forrest KA, Liu W, He Y, Wu H, Yildirim T, Chen B, Space B, Pan Y, Zaworotko MJ. Fine Tuning of MOF-505 Analogues to Reduce Low Pressure Methane Uptake and Enhance Methane Working Capacity. Angewandte Chemie (International Ed. in English). PMID 28707307 DOI: 10.1002/Anie.201704974 |
0.328 |
|
| 2017 |
Pham T, Forrest KA, Franz DM, Guo Z, Chen B, Space B. Predictive models of gas sorption in a metal-organic framework with open-metal sites and small pore sizes. Physical Chemistry Chemical Physics : Pccp. PMID 28686253 DOI: 10.1039/C7Cp02767B |
0.439 |
|
| 2017 |
Pham T, Forrest KA, Mostrom M, Hunt JR, Furukawa H, Eckert J, Space B. The rotational dynamics of H2 adsorbed in covalent organic frameworks. Physical Chemistry Chemical Physics : Pccp. PMID 28484768 DOI: 10.1039/C7Cp00924K |
0.386 |
|
| 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 |
0.37 |
|
| 2017 |
Scott HS, Shivanna M, Bajpai A, Madden DG, Chen KJ, Pham T, Forrest KA, Hogan A, Space B, Perry Iv JJ, Zaworotko MJ. Highly Selective Separation of C2H2 from CO2 by a New Dichromate-Based Hybrid Ultramicroporous Material. Acs Applied Materials & Interfaces. PMID 28128918 DOI: 10.1021/Acsami.6B15250 |
0.368 |
|
| 2017 |
Pham T, Forrest KA, Franz DM, Space B. Experimental and theoretical investigations of the gas adsorption sites in rht-metal–organic frameworks Crystengcomm. 19: 4646-4665. DOI: 10.1039/C7Ce01032J |
0.412 |
|
| 2017 |
Forrest KA, Pham T, Space B. Comparing the mechanism and energetics of CO2 sorption in the SIFSIX series Crystengcomm. 19: 3338-3347. DOI: 10.1039/C7Ce00594F |
0.387 |
|
| 2017 |
Pham T, Forrest KA, Furukawa H, Russina M, Albinati A, Georgiev PA, Eckert J, Space B. High H2Sorption Energetics in Zeolitic Imidazolate Frameworks The Journal of Physical Chemistry C. 121: 1723-1733. DOI: 10.1021/Acs.Jpcc.6B11466 |
0.367 |
|
| 2016 |
Scott HS, Ogiwara N, Chen KJ, Madden DG, Pham T, Forrest K, Space B, Horike S, Perry Iv JJ, Kitagawa S, Zaworotko MJ. Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers. Chemical Science. 7: 5470-5476. PMID 30034686 DOI: 10.1039/C6Sc01385F |
0.365 |
|
| 2016 |
Pham T, Forrest KA, Chen K, Kumar A, Zaworotko MJ, Space B. Theoretical Investigations of CO2 and H2 Sorption in Robust Molecular Porous Materials. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27749073 DOI: 10.1021/Acs.Langmuir.6B03161 |
0.402 |
|
| 2016 |
Chen KJ, Madden DG, Pham T, Forrest KA, Kumar A, Yang QY, Xue W, Space B, Perry JJ, Zhang JP, Chen XM, Zaworotko MJ. Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2. Angewandte Chemie (International Ed. in English). PMID 27439315 DOI: 10.1002/Anie.201603934 |
0.355 |
|
| 2016 |
Pham T, Forrest KA, Space B. An unusual H2 sorption mechanism in PCN-14: insights from molecular simulation. Physical Chemistry Chemical Physics : Pccp. PMID 27426916 DOI: 10.1039/C6Cp02650H |
0.389 |
|
| 2016 |
Mohamed MH, Elsaidi SK, Pham T, Forrest KA, Schaef HT, Hogan A, Wojtas L, Xu W, Space B, Zaworotko MJ, Thallapally PK. Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation. Angewandte Chemie (International Ed. in English). PMID 27238977 DOI: 10.1002/Anie.201602287 |
0.343 |
|
| 2016 |
Pham T, Forrest KA, Space B, Eckert J. Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra. Physical Chemistry Chemical Physics : Pccp. PMID 27160665 DOI: 10.1039/C6Cp01863G |
0.377 |
|
| 2016 |
Franz D, Forrest KA, Pham T, Space B. Accurate H2 Sorption Modeling in the rht-MOF NOTT-112 Using Explicit Polarization Crystal Growth & Design. 16: 6024-6032. DOI: 10.1021/Acs.Cgd.6B01058 |
0.381 |
|
| 2016 |
Elsaidi SK, Mohamed MH, Pham T, Hussein T, Wojtas L, Zaworotko MJ, Space B. Crystal Engineering of a 4,6-c fsc Platform That Can Serve as a Carbon Dioxide Single-Molecule Trap Crystal Growth and Design. 16: 1071-1080. DOI: 10.1021/Acs.Cgd.5B01632 |
0.326 |
|
| 2016 |
Pham T, Forrest KA, Eckert J, Space B. Dramatic Effect of the Electrostatic Parameters on H2 Sorption in an M-MOF-74 Analogue Crystal Growth and Design. 16: 867-874. DOI: 10.1021/Acs.Cgd.5B01434 |
0.377 |
|
| 2016 |
Chen K, Scott H, Madden D, Pham T, Kumar A, Bajpai A, Lusi M, Forrest K, Space B, Perry J, Zaworotko M. Benchmark C 2 H 2 /CO 2 and CO 2 /C 2 H 2 Separation by Two Closely Related Hybrid Ultramicroporous Materials Chem. 1: 753-765. DOI: 10.1016/J.Chempr.2016.10.009 |
0.317 |
|
| 2015 |
Pham T, Forrest KA, Falcão EH, Eckert J, Space B. Exceptional H2 sorption characteristics in a Mg(2+)-based metal-organic framework with small pores: insights from experimental and theoretical studies. Physical Chemistry Chemical Physics : Pccp. PMID 26673530 DOI: 10.1039/C5Cp05906B |
0.381 |
|
| 2015 |
Elsaidi SK, Mohamed MH, Schaef HT, Kumar A, Lusi M, Pham T, Forrest KA, Space B, Xu W, Halder GJ, Liu J, Zaworotko MJ, Thallapally PK. Correction: Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas. Chemical Communications (Cambridge, England). PMID 26530600 DOI: 10.1039/C5Cc90503F |
0.324 |
|
| 2015 |
Pham T, Forrest KA, Gao WY, Ma S, Space B. Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal-Organic Frameworks. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 3170-9. PMID 26489059 DOI: 10.1002/Cphc.201500504 |
0.366 |
|
| 2015 |
Elsaidi SK, Mohamed MH, Schaef HT, Kumar A, Lusi M, Pham T, Forrest KA, Space B, Xu W, Halder GJ, Liu J, Zaworotko MJ, Thallapally PK. Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas. Chemical Communications (Cambridge, England). PMID 26348358 DOI: 10.1039/C5Cc06577A |
0.371 |
|
| 2015 |
Scott HS, Bajpai A, Chen KJ, Pham T, Space B, Perry JJ, Zaworotko MJ. Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n. Chemical Communications (Cambridge, England). PMID 26307270 DOI: 10.1039/C5Cc05866J |
0.348 |
|
| 2015 |
Forrest KA, Pham T, Georgiev PA, Pinzan F, Cioce CR, Unruh T, Eckert J, Space B. Investigating H₂ Sorption in a Fluorinated Metal-Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 7328-36. PMID 26083895 DOI: 10.1021/Acs.Langmuir.5B01664 |
0.402 |
|
| 2015 |
Gao WY, Pham T, Forrest KA, Space B, Wojtas L, Chen YS, Ma S. The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform. Chemical Communications (Cambridge, England). 51: 9636-9. PMID 25974064 DOI: 10.1039/C5Cc02573G |
0.36 |
|
| 2015 |
Zhang Y, Li B, Krishna R, Wu Z, Ma D, Shi Z, Pham T, Forrest K, Space B, Ma S. Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation. Chemical Communications (Cambridge, England). 51: 2714-7. PMID 25575193 DOI: 10.1039/C4Cc09774B |
0.338 |
|
| 2015 |
Green AJ, Space B. Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface. The Journal of Physical Chemistry. B. 119: 9219-24. PMID 25415752 DOI: 10.1021/Jp509647W |
0.319 |
|
| 2015 |
Pham T, Forrest KA, Banerjee R, Orcajo G, Eckert J, Space B. Understanding the H2 sorption trends in the M-MOF-74 series (M = Mg, Ni, Co, Zn) Journal of Physical Chemistry C. 119: 1078-1090. DOI: 10.1021/Jp510253M |
0.392 |
|
| 2015 |
Pham T, Forrest KA, Hogan A, Tudor B, McLaughlin K, Belof JL, Eckert J, Space B. Understanding hydrogen sorption in In-soc-MOF: A charged metal-organic framework with open-metal sites, narrow channels, and counterions Crystal Growth and Design. 15: 1460-1471. DOI: 10.1021/Cg5018104 |
0.391 |
|
| 2015 |
Forrest KA, Pham T, Georgiev PA, Embs JP, Waggoner NW, Hogan A, Humphrey SM, Eckert J, Space B. Inelastic Neutron Scattering and Theoretical Studies of H2 Sorption in a Dy(III)-Based Phosphine Coordination Material Chemistry of Materials. 27: 7619-7626. DOI: 10.1021/Acs.Chemmater.5B02747 |
0.382 |
|
| 2015 |
Gao WY, Cai R, Pham T, Forrest KA, Hogan A, Nugent P, Williams K, Wojtas L, Luebke R, Weseli?ski ?J, Zaworotko MJ, Space B, Chen YS, Eddaoudi M, Shi X, et al. Remote stabilization of copper paddlewheel based molecular building blocks in metal-organic frameworks Chemistry of Materials. 27: 2144-2151. DOI: 10.1021/Acs.Chemmater.5B00084 |
0.339 |
|
| 2014 |
Pham T, Forrest KA, Georgiev PA, Lohstroh W, Xue DX, Hogan A, Eddaoudi M, Space B, Eckert J. A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework. Chemical Communications (Cambridge, England). 50: 14109-12. PMID 25283496 DOI: 10.1039/C4Cc05987E |
0.345 |
|
| 2014 |
Li B, Zhang Y, Krishna R, Yao K, Han Y, Wu Z, Ma D, Shi Z, Pham T, Space B, Liu J, Thallapally PK, Liu J, Chrzanowski M, Ma S. Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane. Journal of the American Chemical Society. 136: 8654-60. PMID 24901372 DOI: 10.1021/Ja502119Z |
0.373 |
|
| 2014 |
Forrest KA, Pham T, McLaughlin K, Hogan A, Space B. Insights into an intriguing gas sorption mechanism in a polar metal-organic framework with open-metal sites and narrow channels. Chemical Communications (Cambridge, England). 50: 7283-6. PMID 24871686 DOI: 10.1039/C4Cc03070B |
0.395 |
|
| 2014 |
Pham T, Forrest KA, Tudor B, Elsaidi SK, Mohamed MH, McLaughlin K, Cioce CR, Zaworotko MJ, Space B. Theoretical investigations of CO₂ and CH₄ sorption in an interpenetrated diamondoid metal-organic material. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 6454-62. PMID 24835550 DOI: 10.1021/La500967W |
0.397 |
|
| 2014 |
Elsaidi SK, Mohamed MH, Wojtas L, Chanthapally A, Pham T, Space B, Vittal JJ, Zaworotko MJ. Putting the squeeze on CH4 and CO2 through control over interpenetration in diamondoid nets. Journal of the American Chemical Society. 136: 5072-7. PMID 24611507 DOI: 10.1021/Ja500005K |
0.396 |
|
| 2014 |
Nugent P, Pham T, McLaughlin K, Georgiev PA, Lohstroh W, Embs JP, Zaworotko MJ, Space B, Eckert J. Dramatic effect of pore size reduction on the dynamics of hydrogen adsorbed in metal-organic materials Journal of Materials Chemistry A. 2: 13884-13891. DOI: 10.1039/C4Ta02171A |
0.366 |
|
| 2014 |
Pham T, Forrest KA, Hogan A, McLaughlin K, Belof JL, Eckert J, Space B. Simulations of hydrogen sorption in rht-MOF-1: Identifying the binding sites through explicit polarization and quantum rotation calculations Journal of Materials Chemistry A. 2: 2088-2100. DOI: 10.1039/C3Ta14591C |
0.387 |
|
| 2014 |
Pham T, Forrest KA, McLaughlin K, Eckert J, Space B. Capturing the H2-metal interaction in Mg-MOF-74 using classical polarization Journal of Physical Chemistry C. 118: 22683-22690. DOI: 10.1021/Jp508249C |
0.392 |
|
| 2014 |
Pham T, Forrest KA, Eckert J, Georgiev PA, Mullen A, Luebke R, Cairns AJ, Belmabkhout Y, Eubank JF, McLaughlin K, Lohstroh W, Eddaoudi M, Space B. Investigating the gas sorption mechanism in an rht -metal-organic framework through computational studies Journal of Physical Chemistry C. 118: 439-456. DOI: 10.1021/Jp409950R |
0.417 |
|
| 2014 |
Pham T, Forrest KA, McDonald K, Space B. Modeling PCN-61 and PCN-66: Isostructural rht -metal-organic frameworks with distinct CO2 sorption mechanisms Crystal Growth and Design. 14: 5599-5607. DOI: 10.1021/Cg500860T |
0.321 |
|
| 2013 |
Cioce CR, McLaughlin K, Belof JL, Space B. A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation. Journal of Chemical Theory and Computation. 9: 5550-7. PMID 26592288 DOI: 10.1021/Ct400526A |
0.384 |
|
| 2013 |
Mullen AL, Pham T, Forrest KA, Cioce CR, McLaughlin K, Space B. A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation. Journal of Chemical Theory and Computation. 9: 5421-9. PMID 26592280 DOI: 10.1021/Ct400549Q |
0.401 |
|
| 2013 |
McLaughlin K, Cioce CR, Pham T, Belof JL, Space B. Efficient calculation of many-body induced electrostatics in molecular systems. The Journal of Chemical Physics. 139: 184112. PMID 24320259 DOI: 10.1063/1.4829144 |
0.326 |
|
| 2013 |
Mohamed MH, Elsaidi SK, Pham T, Forrest KA, Tudor B, Wojtas L, Space B, Zaworotko MJ. Pillar substitution modulates CO2 affinity in "mmo" topology networks. Chemical Communications (Cambridge, England). 49: 9809-11. PMID 24029926 DOI: 10.1039/C3Cc44745F |
0.319 |
|
| 2013 |
Nugent PS, Rhodus VL, Pham T, Forrest K, Wojtas L, Space B, Zaworotko MJ. A robust molecular porous material with high CO2 uptake and selectivity. Journal of the American Chemical Society. 135: 10950-3. PMID 23859072 DOI: 10.1021/Ja4054948 |
0.395 |
|
| 2013 |
Nugent P, Belmabkhout Y, Burd SD, Cairns AJ, Luebke R, Forrest K, Pham T, Ma S, Space B, Wojtas L, Eddaoudi M, Zaworotko MJ. Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation. Nature. 495: 80-4. PMID 23446349 DOI: 10.1038/Nature11893 |
0.384 |
|
| 2013 |
Nugent P, Rhodus V, Pham T, Tudor B, Forrest K, Wojtas L, Space B, Zaworotko M. Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution. Chemical Communications (Cambridge, England). 49: 1606-8. PMID 23340547 DOI: 10.1039/C3Cc37695H |
0.387 |
|
| 2013 |
Forrest KA, Pham T, Hogan A, McLaughlin K, Tudor B, Nugent P, Burd SD, Mullen A, Cioce CR, Wojtas L, Zaworotko MJ, Space B. Computational studies of CO2 sorption and separation in an ultramicroporous metal-organic material Journal of Physical Chemistry C. 117: 17687-17698. DOI: 10.1021/Jp405781C |
0.409 |
|
| 2013 |
Pham T, Forrest KA, McLaughlin K, Tudor B, Nugent P, Hogan A, Mullen A, Cioce CR, Zaworotko MJ, Space B. Theoretical investigations of CO2 and H2 sorption in an interpenetrated square-pillared metal-organic material Journal of Physical Chemistry C. 117: 9970-9982. DOI: 10.1021/Jp402764S |
0.43 |
|
| 2013 |
Pham T, Forrest KA, Nugent P, Belmabkhout Y, Luebke R, Eddaoudi M, Zaworotko MJ, Space B. Understanding hydrogen sorption in a metal-organic framework with open-metal sites and amide functional groups Journal of Physical Chemistry C. 117: 9340-9354. DOI: 10.1021/Jp402304A |
0.405 |
|
| 2013 |
Forrest KA, Pham T, Nugent P, Burd SD, Mullen A, Wojtas L, Zaworotko MJ, Space B. Examining the effects of different ring configurations and equatorial fluorine atom positions on CO2 Sorption in [Cu(bpy) 2SiF6] Crystal Growth and Design. 13: 4542-4548. DOI: 10.1021/Cg401034S |
0.31 |
|
| 2012 |
Mohamed MH, Elsaidi SK, Wojtas L, Pham T, Forrest KA, Tudor B, Space B, Zaworotko MJ. Highly selective CO2 uptake in uninodal 6-connected "mmo" nets based upon MO4(2-) (M = Cr, Mo) pillars. Journal of the American Chemical Society. 134: 19556-9. PMID 23170983 DOI: 10.1021/Ja309452Y |
0.336 |
|
| 2012 |
Matanovi? I, Belof JL, Space B, Sillar K, Sauer J, Eckert J, Ba?i? Z. Hydrogen adsorbed in a metal organic framework-5: coupled translation-rotation eigenstates from quantum five-dimensional calculations. The Journal of Chemical Physics. 137: 014701. PMID 22779674 DOI: 10.1063/1.4730906 |
0.349 |
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| 2012 |
McLaughlin K, Cioce CR, Belof JL, Space B, Space BB. A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions. The Journal of Chemical Physics. 136: 194302. PMID 22612090 DOI: 10.1063/1.4717705 |
0.35 |
|
| 2012 |
Green AJ, Perry A, Moore PB, Space B. A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 124108. PMID 22395178 DOI: 10.1088/0953-8984/24/12/124108 |
0.342 |
|
| 2012 |
Stern AC, Belof JL, Eddaoudi M, Space B. Understanding hydrogen sorption in a polar metal-organic framework with constricted channels. The Journal of Chemical Physics. 136: 034705. PMID 22280775 DOI: 10.1063/1.3668138 |
0.371 |
|
| 2012 |
McLaughlin K, Cioce CR, Belof JL, Space B. Publisher's Note: “A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions” [J. Chem. Phys. 136, 194302 (2012)] Journal of Chemical Physics. 137: 29901-29901. DOI: 10.1063/1.4736857 |
0.316 |
|
| 2012 |
Forrest KA, Pham T, McLaughlin K, Belof JL, Stern AC, Zaworotko MJ, Space B. Simulation of the mechanism of gas sorption in a metal-organic framework with open metal sites: Molecular hydrogen in PCN-61 Journal of Physical Chemistry C. 116: 15538-15549. DOI: 10.1021/Jp306084T |
0.382 |
|
| 2011 |
Belof JL, Cioce CR, Xu X, Zhang XP, Space B, Woodcock HL. Characterization of Tunable Radical Metal-Carbenes: Key Intermediates in Catalytic Cyclopropanation. Organometallics. 30: 2739-2746. PMID 21643517 DOI: 10.1021/Om2001348 |
0.306 |
|
| 2009 |
Belof JL, Stern AC, Space B. A Predictive Model of Hydrogen Sorption for Metal―Organic Materials Journal of Physical Chemistry C. 113: 9316-9320. DOI: 10.1021/Jp901988E |
0.331 |
|
| 2008 |
Belof JL, Stern AC, Space B. An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation. Journal of Chemical Theory and Computation. 4: 1332-7. PMID 26631708 DOI: 10.1021/Ct800155Q |
0.363 |
|
| 2008 |
Mokdad A, Belof JL, Yi SW, Shuler SE, McLaughlin ML, Space B, Larsen RW. Photophysical studies of the trans to cis isomerization of the push-pull molecule: 1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)ethene (mepepy). The Journal of Physical Chemistry. A. 112: 8310-5. PMID 18700732 DOI: 10.1021/Jp803268R |
0.303 |
|
| 2007 |
Belof JL, Stern AC, Eddaoudi M, Space B. On the mechanism of hydrogen storage in a metal-organic framework material. Journal of the American Chemical Society. 129: 15202-10. PMID 17999501 DOI: 10.1021/Ja0737164 |
0.343 |
|
| 2007 |
Neipert C, Space B. A Distributed Hyperpolarizability Model for Liquid Water Computing Letters. 3: 431-440. DOI: 10.1163/157404007782913291 |
0.322 |
|
| 2007 |
and CN, Space B, Roney AB. Generalized Computational Time Correlation Function Approach: Quantifying Quadrupole Contributions to Vibrationally Resonant Second-Order Interface-Specific Optical Spectroscopies† Journal of Physical Chemistry C. 111: 8749-8756. DOI: 10.1021/Jp066934C |
0.309 |
|
| 2006 |
DeVane R, Space B, Jansen TL, Keyes T. Time correlation function and finite field approaches to the calculation of the fifth order Raman response in liquid xenon. The Journal of Chemical Physics. 125: 234501. PMID 17190561 DOI: 10.1063/1.2403129 |
0.321 |
|
| 2006 |
Neipert C, Space B. A time correlation function theory describing static field enhanced third order optical effects at interfaces. The Journal of Chemical Physics. 125: 224706. PMID 17176153 DOI: 10.1063/1.2397687 |
0.329 |
|
| 2006 |
DeVane R, Kasprzyk C, Space B, Keyes T. Theoretical investigation of the temperature dependence of the fifth-order Raman response function of fluid and liquid xenon. The Journal of Physical Chemistry. B. 110: 3773-81. PMID 16494436 DOI: 10.1021/Jp055275L |
0.318 |
|
| 2005 |
DeVane R, Ridley C, Space B, Keyes T. Applications of a time correlation function theory for the fifth-order Raman response function I: atomic liquids. The Journal of Chemical Physics. 123: 194507. PMID 16321100 DOI: 10.1063/1.2038768 |
0.329 |
|
| 2005 |
Perry A, Neipert C, Kasprzyk CR, Green T, Space B, Moore PB. A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface. The Journal of Chemical Physics. 123: 144705. PMID 16238414 DOI: 10.1063/1.2046630 |
0.35 |
|
| 2005 |
Perry A, Neipert C, Ridley C, Space B, Moore PB. Identification of a wagging vibrational mode of water molecules at the water/vapor interface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 050601. PMID 16089512 DOI: 10.1103/Physreve.71.050601 |
0.307 |
|
| 2003 |
DeVane R, Ridley C, Larsen RW, Space B, Moore PB, Chan SI. A molecular dynamics method for calculating molecular volume changes appropriate for biomolecular simulation. Biophysical Journal. 85: 2801-7. PMID 14581185 DOI: 10.1016/S0006-3495(03)74703-1 |
0.322 |
|
| 2003 |
Perry A, Ahlborn H, Space B, Moore PB. A combined time correlation function and instantaneous normal mode study of the sum frequency generation spectroscopy of the water/vapor interface Journal of Chemical Physics. 118: 8411-8419. DOI: 10.1063/1.1565994 |
0.335 |
|
| 2001 |
Constantine S, Gardecki JA, Zhou Y, Ziegler LD, Ji X, Space B. A novel technique for the measurement of polarization-specific ultrafast Raman responses Journal of Physical Chemistry A. 105: 9851-9858. DOI: 10.1021/Jp004277X |
0.585 |
|
| 2000 |
Shah V, Bowen HF, Space B. An atomically detailed description of metal–dielectric interfaces: The crossover from surface to bulk conducting properties of Ag–Xe Journal of Chemical Physics. 112: 10998-11004. DOI: 10.1063/1.481739 |
0.335 |
|
| 2000 |
Ji X, Alhborn H, Space B, Moore PB, Zhou Y, Constantine S, Ziegler LD. A combined instantaneous normal mode and time correlation function description of the optical Kerr effect and Raman spectroscopy of liquid CS2 Journal of Chemical Physics. 112: 4186-4192. DOI: 10.1063/1.481539 |
0.601 |
|
| 2000 |
Ahlborn H, Space B, Moore PB. The effect of isotopic substitution and detailed balance on the infrared spectroscopy of water: A combined time correlation function and instantaneous normal mode analysis Journal of Chemical Physics. 112: 8083-8088. DOI: 10.1063/1.481408 |
0.353 |
|
| 2000 |
Ji X, Ahlborn H, Space B, Moore PB. A theoretical investigation of the temperature dependence of the optical Kerr effect and Raman spectroscopy of liquid CS2 Journal of Chemical Physics. 113: 8693-8699. DOI: 10.1063/1.1318772 |
0.605 |
|
| 1999 |
Ahlborn H, Ji X, Space B, Moore PB. A combined instantaneous normal mode and time correlation function description of the infrared vibrational spectrum of ambient water The Journal of Chemical Physics. 111: 10622-10632. DOI: 10.1063/1.480415 |
0.606 |
|
| 1997 |
Bowen HF, Space B. The effective mass of excess electrons in condensed xenon: Toward methods for modeling metal-dielectric interfaces Journal of Chemical Physics. 107: 1922-1930. DOI: 10.1063/1.474543 |
0.327 |
|
| 1997 |
Moore P, Space B. An instantaneous normal mode theory of condensed phase absorption: The collision-induced absorption spectra of liquid CO2 The Journal of Chemical Physics. 107: 5635-5644. DOI: 10.1063/1.474325 |
0.328 |
|
| 1992 |
Space B, Coker DF, Liu ZH, Berne BJ, Martyna G. Density dependence of excess electronic ground-state energies in simple atomic fluids The Journal of Chemical Physics. 97: 2002-2021. DOI: 10.1063/1.463138 |
0.303 |
|
| 1992 |
Space B, Coker DF. Dynamics of trapping and localization of excess electrons in simple fluids The Journal of Chemical Physics. 96: 652-663. DOI: 10.1063/1.462449 |
0.301 |
|
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