| Year |
Citation |
Score |
| 2024 |
Lee AS, Elliott S, Harb H, Ward L, Foster I, Curtiss L, Assary RS. : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of Chemical Information and Modeling. PMID 38359461 DOI: 10.1021/acs.jcim.3c01583 |
0.765 |
|
| 2024 |
Trainer D, Lee AT, Sarkar S, Singh V, Cheng X, Dandu NK, Latt KZ, Wang S, Ajayi TM, Premarathna S, Facemyer D, Curtiss LA, Ulloa SE, Ngo AT, Masson E, et al. 2D Ionic Liquid-Like State of Charged Rare-Earth Clusters on a Metal Surface. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2308813. PMID 38268161 DOI: 10.1002/advs.202308813 |
0.474 |
|
| 2023 |
Shan N, Ngo AT, Kondari A, Asadi M, Curtiss LA. A solid-state Li-air battery: computational studies of interfaces and relevance to discharge mechanism. Faraday Discussions. PMID 37791894 DOI: 10.1039/d3fd00083d |
0.727 |
|
| 2023 |
Dandu NK, Ward L, Assary RS, Redfern PC, Curtiss LA. Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning. The Journal of Physical Chemistry. A. PMID 37406209 DOI: 10.1021/acs.jpca.3c00823 |
0.588 |
|
| 2023 |
Kondori A, Esmaeilirad M, Harzandi AM, Amine R, Saray MT, Yu L, Liu T, Wen J, Shan N, Wang HH, Ngo AT, Redfern PC, Johnson CS, Amine K, Shahbazian-Yassar R, ... Curtiss LA, et al. A room temperature rechargeable LiO-based lithium-air battery enabled by a solid electrolyte. Science (New York, N.Y.). 379: 499-505. PMID 36730408 DOI: 10.1126/science.abq1347 |
0.738 |
|
| 2023 |
Prabhakaran V, Agarwal G, Howard JD, Wi S, Shutthanandan V, Nguyen DT, Soule L, Johnson GE, Liu YS, Yang F, Feng X, Guo J, Hankins K, Curtiss LA, Mueller KT, et al. Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface. Acs Applied Materials & Interfaces. PMID 36715357 DOI: 10.1021/acsami.2c18477 |
0.595 |
|
| 2022 |
Gaddam R, Sarbapalli D, Howard J, Curtiss LA, Assary RS, Rodríguez-López J. An SECM-Based Spot Analysis for Redoxmer-Electrode Kinetics: Identifying Redox Asymmetries on Model Graphitic Carbon Interfaces. Chemistry, An Asian Journal. PMID 36482038 DOI: 10.1002/asia.202201120 |
0.585 |
|
| 2022 |
Rastegar S, Ahmadiparidari A, Singh SK, Zhang C, Hemmat Z, Dandu N, Counihan MJ, Bagheri M, Rojas T, Majidi L, Wang S, Jaradat A, Assary RS, Redfern PC, Mirbood P, ... ... Curtiss LA, et al. A KMnO-Generated Colloidal Electrolyte for Redox Mediation and Anode Protection in a Li-Air Battery. Acs Nano. PMID 36326201 DOI: 10.1021/acsnano.2c05305 |
0.619 |
|
| 2022 |
Canlas CP, Cheng L, O'Neill B, Dogan F, Libera JA, Dumesic JA, Curtiss LA, Elam JW. Tunable Solid Acid Catalyst Thin Films Prepared by Atomic Layer Deposition. Acs Applied Materials & Interfaces. 14: 43171-43179. PMID 36171685 DOI: 10.1021/acsami.2c09734 |
0.357 |
|
| 2022 |
Mistry A, Yu Z, Peters BL, Fang C, Wang R, Curtiss LA, Balsara NP, Cheng L, Srinivasan V. Toward Bottom-Up Understanding of Transport in Concentrated Battery Electrolytes. Acs Central Science. 8: 880-890. PMID 35912355 DOI: 10.1021/acscentsci.2c00348 |
0.325 |
|
| 2022 |
Dandu NK, Assary RS, Redfern PC, Ward L, Foster I, Curtiss LA. Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning. The Journal of Physical Chemistry. A. PMID 35786965 DOI: 10.1021/acs.jpca.2c01327 |
0.584 |
|
| 2022 |
Majidi L, Ahmadiparidari A, Shan N, Kumar Singh S, Zhang C, Huang Z, Rastegar S, Kumar K, Hemmat Z, Ngo AT, Zapol P, Cabana J, Subramanian A, Curtiss LA, Salehi-Khojin A. Nanostructured Conductive Metal Organic Frameworks for Sustainable Low Charge Overpotentials in Li-Air Batteries. Small (Weinheim An Der Bergstrasse, Germany). 18: e2102902. PMID 35083855 DOI: 10.1002/smll.202102902 |
0.788 |
|
| 2021 |
Agarwal G, Howard JD, Prabhakaran V, Johnson GE, Murugesan V, Mueller KT, Curtiss LA, Assary RS. Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Molecular Dynamics Simulations. Acs Applied Materials & Interfaces. PMID 34362250 DOI: 10.1021/acsami.1c07864 |
0.601 |
|
| 2021 |
Zhang Y, Trainer DJ, Narayanan B, Li Y, Ngo AT, Khadka S, Neogi A, Fisher B, Curtiss LA, Sankaranarayanan SKRS, Hla SW. One-Dimensional Lateral Force Anisotropy at the Atomic Scale in Sliding Single Molecules on a Surface. Nano Letters. PMID 34283625 DOI: 10.1021/acs.nanolett.0c04974 |
0.584 |
|
| 2021 |
Ward L, Dandu N, Blaiszik B, Narayanan B, Assary RS, Redfern PC, Foster I, Curtiss LA. Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models. The Journal of Physical Chemistry. A. PMID 34191512 DOI: 10.1021/acs.jpca.1c01960 |
0.59 |
|
| 2021 |
Shan N, Redfern PC, Ngo AT, Zapol P, Markovic N, Curtiss LA. Theoretical evidence of water serving as a promoter for lithium superoxide disproportionation in Li-O batteries. Physical Chemistry Chemical Physics : Pccp. PMID 33890602 DOI: 10.1039/d0cp05924b |
0.776 |
|
| 2021 |
Majidi L, Ahmadiparidari A, Shan N, Misal SN, Kumar K, Huang Z, Rastegar S, Hemmat Z, Zou X, Zapol P, Cabana J, Curtiss LA, Salehi-Khojin A. 2D Copper Tetrahydroxyquinone Conductive Metal-Organic Framework for Selective CO Electrocatalysis at Low Overpotentials. Advanced Materials (Deerfield Beach, Fla.). e2004393. PMID 33522009 DOI: 10.1002/adma.202004393 |
0.775 |
|
| 2021 |
Rastegar S, Hemmat Z, Zhang C, Plunkett S, Wen J, Dandu N, Rojas T, Majidi L, Misal SN, Ngo AT, Curtiss LA, Salehi-Khojin A. High-Rate Long Cycle-Life Li-Air Battery Aided by Bifunctional InX (X = I and Br) Redox Mediators. Acs Applied Materials & Interfaces. PMID 33480245 DOI: 10.1021/acsami.0c15200 |
0.637 |
|
| 2020 |
Dandu NK, Ward L, Assary RS, Redfern PC, Narayanan B, Foster IT, Curtiss LA. Quantum Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-Hydrogen Atoms. The Journal of Physical Chemistry. A. PMID 32539388 DOI: 10.1021/Acs.Jpca.0C01777 |
0.587 |
|
| 2020 |
Han KS, Yu Z, Wang H, Redfern PC, Ma L, Cheng L, Chen Y, Hu JZ, Curtiss LA, Xu K, Murugesan V, Mueller KT. Origin of Unusual Acidity and Li Diffusivity in a Series of Water-in-Salt Electrolytes. The Journal of Physical Chemistry. B. PMID 32484675 DOI: 10.1021/Acs.Jpcb.0C02483 |
0.347 |
|
| 2020 |
Hemmat Z, Cavin J, Ahmadiparidari A, Ruckel A, Rastegar S, Misal SN, Majidi L, Kumar K, Wang S, Guo J, Dawood R, Lagunas F, Parajuli P, Ngo AT, Curtiss LA, et al. Quasi-Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis, and Application. Advanced Materials (Deerfield Beach, Fla.). e1907041. PMID 32449197 DOI: 10.1002/Adma.201907041 |
0.621 |
|
| 2020 |
Yu Z, Curtiss LA, Winans RE, Z Y, Li T, Cheng L. Asymmetric Composition of Ionic Aggregates and the Origin of High Correlated Transference Number in Water-In-Salt Electrolytes. The Journal of Physical Chemistry Letters. PMID 31951143 DOI: 10.1021/Acs.Jpclett.9B03495 |
0.35 |
|
| 2019 |
Halder A, Ngo AT, Luo X, Wang HH, Wen J, Abbasi P, Asadi M, Zhang C, Miller DJ, Zhang D, Lu J, Redfern PC, Lau KC, Amine R, Assary RS, ... ... Curtiss LA, et al. Formed IrLi Nanoparticles as Active Cathode Material in Li-Oxygen Batteries. The Journal of Physical Chemistry. A. PMID 31657929 DOI: 10.1021/Acs.Jpca.9B06875 |
0.742 |
|
| 2019 |
Narayanan B, Redfern PC, Assary RS, Curtiss LA. Accurate quantum chemical energies for 133 000 organic molecules. Chemical Science. 10: 7449-7455. PMID 31489167 DOI: 10.1039/c9sc02834j |
0.611 |
|
| 2019 |
Ahmadiparidari A, Warburton RE, Majidi L, Asadi M, Chamaani A, Jokisaari JR, Rastegar S, Hemmat Z, Sayahpour B, Assary RS, Narayanan B, Abbasi P, Redfern PC, Ngo A, Vörös M, ... ... Curtiss LA, et al. A Long-Cycle-Life Lithium-CO Battery with Carbon Neutrality. Advanced Materials (Deerfield Beach, Fla.). e1902518. PMID 31441124 DOI: 10.1002/Adma.201902518 |
0.753 |
|
| 2019 |
Zhang Y, Calupitan JP, Rojas T, Tumbleson R, Erbland G, Kammerer C, Ajayi TM, Wang S, Curtiss LA, Ngo AT, Ulloa SE, Rapenne G, Hla SW. A chiral molecular propeller designed for unidirectional rotations on a surface. Nature Communications. 10: 3742. PMID 31431627 DOI: 10.1038/S41467-019-11737-1 |
0.678 |
|
| 2018 |
Majidi L, Yasaei P, Warburton RE, Fuladi S, Cavin J, Hu X, Hemmat Z, Cho SB, Abbasi P, Vörös M, Cheng L, Sayahpour B, Bolotin IL, Zapol P, Greeley J, ... ... Curtiss LA, et al. New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid. Advanced Materials (Deerfield Beach, Fla.). e1804453. PMID 30500098 DOI: 10.1002/Adma.201804453 |
0.638 |
|
| 2018 |
Connell JG, Zhu Y, Zapol P, Tepavcevic S, Sharafi A, Sakamoto J, Curtiss LA, Fong DD, Freeland JW, Markovic NM. Crystal Orientation-Dependent Reactivity of Oxide Surfaces in Contact with Lithium Metal. Acs Applied Materials & Interfaces. PMID 29708721 DOI: 10.1021/Acsami.8B03078 |
0.583 |
|
| 2018 |
Asadi M, Sayahpour B, Abbasi P, Ngo AT, Karis K, Jokisaari JR, Liu C, Narayanan B, Gerard M, Yasaei P, Hu X, Mukherjee A, Lau KC, Assary RS, Khalili-Araghi F, ... ... Curtiss LA, et al. A lithium-oxygen battery with a long cycle life in an air-like atmosphere. Nature. 555: 502-506. PMID 29565358 DOI: 10.1038/Nature25984 |
0.747 |
|
| 2018 |
Li L, Lu J, Zhai L, Zhang X, Curtiss L, Jin Y, Wu F, Chen R, Amine K. A facile recovery process for cathodes from spent lithium iron phosphate batteries by using oxalic acid Csee Journal of Power and Energy Systems. 4: 219-225. DOI: 10.17775/Cseejpes.2016.01880 |
0.327 |
|
| 2017 |
Ngo AT, Skeini T, Iancu V, Redfern PC, Curtiss LA, Hla SW. Manipulation of Origin of Life Molecules: Recognizing Single Molecule Conformations in β-Carotene and Chlorophyll-a - β-Carotene Clusters. Acs Nano. PMID 29236480 DOI: 10.1021/Acsnano.7B05841 |
0.594 |
|
| 2017 |
Shin M, Wu HL, Narayanan B, See KA, Assary RS, Zhu L, Haasch RT, Zhang S, Zhang Z, Curtiss LA, Gewirth AA. The effect of the hydrofluoroether cosolvent structure in acetonitrile-based solvate electrolytes on Li+ solvation structure and Li‒S battery performance. Acs Applied Materials & Interfaces. PMID 29045124 DOI: 10.1021/Acsami.7B11566 |
0.603 |
|
| 2017 |
Ma T, Xu GL, Li Y, Wang L, He X, Zheng J, Liu J, Engelhard MH, Zapol P, Curtiss LA, Jorne J, Amine K, Chen Z. Revisiting the Corrosion of Aluminum Current Collector in Lithium-ion Batteries. The Journal of Physical Chemistry Letters. PMID 28205444 DOI: 10.1021/Acs.Jpclett.6B02933 |
0.593 |
|
| 2016 |
See KA, Wu HL, Lau KC, Shin M, Cheng L, Balasubramanian M, Gallagher KG, Curtiss LA, Gewirth AA. Effect of Hydrofluoroether Cosolvent Addition on Li Solvation in Acetonitrile-Based Solvate Electrolytes and Its Influence on S Reduction in a Li-S Battery. Acs Applied Materials & Interfaces. 8: 34360-34371. PMID 27998132 DOI: 10.1021/Acsami.6B11358 |
0.406 |
|
| 2016 |
Abbasi P, Asadi M, Liu C, Sharifi-Asl S, Sayahpour B, Behranginia A, Zapol P, Shahbazian-Yassar R, Curtiss LA, Salehi-Khojin A. Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide. Acs Nano. PMID 27991762 DOI: 10.1021/Acsnano.6B06392 |
0.607 |
|
| 2016 |
Huang J, Pan B, Duan W, Wei X, Assary RS, Su L, Brushett FR, Cheng L, Liao C, Ferrandon MS, Wang W, Zhang Z, Burrell AK, Curtiss LA, Shkrob IA, et al. The lightest organic radical cation for charge storage in redox flow batteries. Scientific Reports. 6: 32102. PMID 27558638 DOI: 10.1038/Srep32102 |
0.654 |
|
| 2016 |
Asadi M, Kim K, Liu C, Addepalli AV, Abbasi P, Yasaei P, Phillips P, Behranginia A, Cerrato JM, Haasch R, Zapol P, Kumar B, Klie RF, Abiade J, Curtiss LA, et al. Nanostructured transition metal dichalcogenide electrocatalysts for CO2 reduction in ionic liquid. Science (New York, N.Y.). 353: 467-70. PMID 27471300 DOI: 10.1126/Science.Aaf4767 |
0.571 |
|
| 2016 |
Xu GL, Ma T, Sun CJ, Luo C, Cheng L, Ren Y, Heald SM, Wang C, Curtiss LA, Wen J, Miller DJ, Li T, Zuo X, Petkov V, Chen Z, et al. Insight into the Capacity Fading Mechanism of amorphous Se2S5 Confined in Micro/mesoporous Carbon Matrix in Ether-based Electrolytes. Nano Letters. PMID 27022761 DOI: 10.1021/Acs.Nanolett.6B00318 |
0.482 |
|
| 2016 |
Asadi M, Kumar B, Liu C, Phillips P, Yasaei P, Behranginia A, Zapol P, Klie RF, Curtiss LA, Salehi-Khojin A. A Cathode Based on Molybdenum Disulfide Nanoflakes for Lithium-Oxygen Batteries. Acs Nano. PMID 26789516 DOI: 10.1021/Acsnano.5B06672 |
0.612 |
|
| 2016 |
Lohr TL, Li Z, Assary RS, Curtiss LA, Marks TJ. Mono- and tri-ester hydrogenolysis using tandem catalysis. Scope and mechanism Energy and Environmental Science. 9: 550-564. DOI: 10.1039/C5Ee03256C |
0.591 |
|
| 2016 |
Zhang J, Das A, Assary RS, Curtiss LA, Weitz E. A combined experimental and computational study of the mechanism of fructose dehydration to 5-hydroxymethylfurfural in dimethylsulfoxide using Amberlyst 70, PO4 3-/niobic acid, or sulfuric acid catalysts Applied Catalysis B: Environmental. 181: 874-887. DOI: 10.1016/J.Apcatb.2014.10.056 |
0.608 |
|
| 2015 |
Ferguson GA, Cheng L, Bu L, Kim S, Robichaud DJ, Nimlos MR, Curtiss LA, Beckham GT. Carbocation Stability in H-ZSM5 at High Temperature. The Journal of Physical Chemistry. A. PMID 26501585 DOI: 10.1021/Acs.Jpca.5B07025 |
0.404 |
|
| 2015 |
Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening. The Journal of Physical Chemistry Letters. 6: 283-291. PMID 26263464 DOI: 10.1021/Jz502319N |
0.635 |
|
| 2015 |
Jeong YS, Park JB, Jung HG, Kim J, Luo X, Lu J, Curtiss L, Amine K, Sun YK, Scrosati B, Lee YJ. Study on the Catalytic Activity of Noble Metal Nanoparticles on Reduced Graphene Oxide for Oxygen Evolution Reactions in Lithium-Air Batteries. Nano Letters. PMID 26115340 DOI: 10.1021/Nl504425H |
0.352 |
|
| 2015 |
Liu C, Yang B, Tyo EC, Seifert S, DeBartolo J, von Issendorff B, Zapol P, Vajda S, Curtiss LA. Carbon Dioxide Conversion to Methanol over Size-selected Cu4 Clus-ters at Low Pressures. Journal of the American Chemical Society. PMID 26115184 DOI: 10.1021/Jacs.5B03668 |
0.546 |
|
| 2015 |
Huang J, Azimi N, Cheng L, Shkrob IA, Xue Z, Zhang J, Dietz Rago NL, Curtiss LA, Amine K, Zhang Z, Zhang L. An organophosphine oxide redox shuttle additive that delivers long-term overcharge protection for 4 v lithium-ion batteries Journal of Materials Chemistry A. 3: 10710-10714. DOI: 10.1039/C5Ta01326G |
0.353 |
|
| 2015 |
Huang J, Shkrob IA, Wang P, Cheng L, Pan B, He M, Liao C, Zhang Z, Curtiss LA, Zhang L. 1,4-Bis(trimethylsilyl)-2,5-dimethoxybenzene: A novel redox shuttle additive for overcharge protection in lithium-ion batteries that doubles as a mechanistic chemical probe Journal of Materials Chemistry A. 3: 7332-7337. DOI: 10.1039/C5Ta00899A |
0.361 |
|
| 2015 |
Liao C, Sa N, Key B, Burrell AK, Cheng L, Curtiss LA, Vaughey JT, Woo JJ, Hu L, Pan B, Zhang Z. The unexpected discovery of the Mg(HMDS)2/MgCl2 complex as a magnesium electrolyte for rechargeable magnesium batteries Journal of Materials Chemistry A. 3: 6082-6087. DOI: 10.1039/C5Ta00118H |
0.325 |
|
| 2015 |
Carino EV, Diesendruck CE, Moore JS, Curtiss LA, Assary RS, Brushett FR. BF3-promoted electrochemical properties of quinoxaline in propylene carbonate Rsc Advances. 5: 18822-18831. DOI: 10.1039/C5Ra00137D |
0.621 |
|
| 2015 |
Canepa P, Jayaraman S, Cheng L, Rajput NN, Richards WD, Gautam GS, Curtiss LA, Persson KA, Ceder G. Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries Energy and Environmental Science. 8: 3718-3730. DOI: 10.1039/C5Ee02340H |
0.333 |
|
| 2015 |
Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening Journal of Physical Chemistry Letters. 6: 283-291. DOI: 10.1021/jz502319n |
0.606 |
|
| 2015 |
Staszak-Jirkovský J, Subbaraman R, Strmcnik D, Harrison KL, Diesendruck CE, Assary R, Frank O, Kobr L, Wiberg GKH, Genorio B, Connell JG, Lopes PP, Stamenkovic VR, Curtiss L, Moore JS, et al. Water as a Promoter and Catalyst for Dioxygen Electrochemistry in Aqueous and Organic Media Acs Catalysis. 5: 6600-6607. DOI: 10.1021/Acscatal.5B01779 |
0.635 |
|
| 2015 |
Lohr TL, Li Z, Assary RS, Curtiss LA, Marks TJ. Thermodynamically leveraged tandem catalysis for ester RC(O)O-R′ bond hydrogenolysis. scope and mechanism Acs Catalysis. 5: 3675-3679. DOI: 10.1021/Acscatal.5B00950 |
0.581 |
|
| 2015 |
Liu C, Evans TJ, Cheng L, Nimlos MR, Mukarakate C, Robichaud DJ, Assary RS, Curtiss LA. Catalytic upgrading of biomass-derived compounds via C-C coupling reactions: Computational and experimental studies of acetaldehyde and furan reactions in HZSM-5 Journal of Physical Chemistry C. 119: 24025-24035. DOI: 10.1021/Acs.Jpcc.5B08141 |
0.648 |
|
| 2015 |
Huang J, Cheng L, Assary RS, Wang P, Xue Z, Burrell AK, Curtiss LA, Zhang L. Liquid catholyte molecules for nonaqueous redox flow batteries Advanced Energy Materials. 5. DOI: 10.1002/Aenm.201401782 |
0.595 |
|
| 2014 |
Lu J, Cheng L, Lau KC, Tyo E, Luo X, Wen J, Miller D, Assary RS, Wang HH, Redfern P, Wu H, Park JB, Sun YK, Vajda S, Amine K, ... Curtiss LA, et al. Effect of the size-selective silver clusters on lithium peroxide morphology in lithium-oxygen batteries. Nature Communications. 5: 4895. PMID 25215517 DOI: 10.1038/Ncomms5895 |
0.645 |
|
| 2014 |
Bachman JE, Curtiss LA, Assary RS. Investigation of the redox chemistry of anthraquinone derivatives using density functional theory. The Journal of Physical Chemistry. A. 118: 8852-60. PMID 25159500 DOI: 10.1021/jp5060777 |
0.632 |
|
| 2014 |
Liu C, He H, Zapol P, Curtiss LA. Computational studies of electrochemical CO2 reduction on subnanometer transition metal clusters. Physical Chemistry Chemical Physics : Pccp. 16: 26584-99. PMID 25158148 DOI: 10.1039/C4Cp02690J |
0.544 |
|
| 2014 |
Assary RS, Lu J, Luo X, Zhang X, Ren Y, Wu H, Albishri HM, El-Hady DA, Al-Bogami AS, Curtiss LA, Amine K. Molecular-level insights into the reactivity of siloxane-based electrolytes at a lithium-metal anode. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2077-83. PMID 24986260 DOI: 10.1002/Cphc.201402130 |
0.628 |
|
| 2014 |
Ming J, Kwak WJ, Park JB, Shin CD, Lu J, Curtiss L, Amine K, Sun YK. A physical pulverization strategy for preparing a highly active composite of CoOx and crushed graphite for lithium-oxygen batteries. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2070-6. PMID 24962019 DOI: 10.1002/Cphc.201400054 |
0.373 |
|
| 2014 |
Liu C, Assary RS, Curtiss LA. Investigation of thermochemistry associated with the carbon-carbon coupling reactions of furan and furfural using ab initio methods. The Journal of Physical Chemistry. A. 118: 4392-404. PMID 24902118 DOI: 10.1021/Jp503702T |
0.606 |
|
| 2014 |
Li Z, Assary RS, Atesin AC, Curtiss LA, Marks TJ. Rapid ether and alcohol C-O bond hydrogenolysis catalyzed by tandem high-valent metal triflate + supported Pd catalysts. Journal of the American Chemical Society. 136: 104-7. PMID 24354599 DOI: 10.1021/Ja411546R |
0.559 |
|
| 2014 |
Assary RS, Brushett FR, Curtiss LA. Reduction potential predictions of some aromatic nitrogen-containing molecules Rsc Advances. 4: 57442-57451. DOI: 10.1039/C4Ra08563A |
0.605 |
|
| 2014 |
Assary RS, Curtiss LA, Moore JS. Toward a molecular understanding of energetics in Li-S batteries using nonaqueous electrolytes: A high-level quantum chemical study Journal of Physical Chemistry C. 118: 11545-11558. DOI: 10.1021/Jp5015466 |
0.629 |
|
| 2014 |
Cheng L, Yin C, Mehmood F, Liu B, Greeley J, Lee S, Lee B, Seifert S, Winans RE, Teschner D, Schlögl R, Vajda S, Curtiss LA. Reaction mechanism for direct propylene epoxidation by alumina-supported silver aggregates: The role of the particle/support interface Acs Catalysis. 4: 32-39. DOI: 10.1021/Cs4009368 |
0.349 |
|
| 2014 |
Liu B, Cheng L, Curtiss L, Greeley J. Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces Surface Science. 622: 51-59. DOI: 10.1016/J.Susc.2013.12.001 |
0.374 |
|
| 2014 |
Weng W, Barile CJ, Du P, Abouimrane A, Assary RS, Gewirth AA, Curtiss LA, Amine K. Polymer supported organic catalysts for O2 reduction in Li-O2 batteries Electrochimica Acta. 119: 138-143. DOI: 10.1016/J.Electacta.2013.12.027 |
0.582 |
|
| 2014 |
Kim T, Assary RS, Pauls RE, Marshall CL, Curtiss LA, Stair PC. Thermodynamics and reaction pathways of furfuryl alcohol oligomer formation Catalysis Communications. 46: 66-70. DOI: 10.1016/J.Catcom.2013.11.030 |
0.586 |
|
| 2013 |
Lu J, Lei Y, Lau KC, Luo X, Du P, Wen J, Assary RS, Das U, Miller DJ, Elam JW, Albishri HM, El-Hady DA, Sun YK, Curtiss LA, Amine K. A nanostructured cathode architecture for low charge overpotential in lithium-oxygen batteries. Nature Communications. 4: 2383. PMID 23986151 DOI: 10.1038/Ncomms3383 |
0.609 |
|
| 2013 |
Lu J, Jung HJ, Lau KC, Zhang Z, Schlueter JA, Du P, Assary RS, Greeley J, Ferguson GA, Wang HH, Hassoun J, Iddir H, Zhou J, Zuin L, Hu Y, ... ... Curtiss LA, et al. Magnetism in lithium-oxygen discharge product. Chemsuschem. 6: 1196-202. PMID 23670967 DOI: 10.1002/Cssc.201300223 |
0.606 |
|
| 2013 |
Assary RS, Lu J, Du P, Luo X, Zhang X, Ren Y, Curtiss LA, Amine K. The effect of oxygen crossover on the anode of a Li-O(2) battery using an ether-based solvent: insights from experimental and computational studies. Chemsuschem. 6: 51-5. PMID 23208891 DOI: 10.1002/Cssc.201200810 |
0.604 |
|
| 2013 |
Assary RS, Lau KC, Amine K, Sun YK, Curtiss LA. Interactions of dimethoxy ethane with Li2O2 clusters and likely decomposition mechanisms for Li-O2 batteries Journal of Physical Chemistry C. 117: 8041-8049. DOI: 10.1021/Jp400229N |
0.618 |
|
| 2013 |
Assary RS, Atesin AC, Li Z, Curtiss LA, Marks TJ. Reaction pathways and energetics of etheric C-O bond cleavage catalyzed by lanthanide triflates Acs Catalysis. 3: 1908-1914. DOI: 10.1021/Cs400483Q |
0.616 |
|
| 2013 |
Assary RS, Curtiss LA, Dumesic JA. Exploring Meerwein-Ponndorf-Verley reduction chemistry for biomass catalysis using a first-principles approach Acs Catalysis. 3: 2694-2704. DOI: 10.1021/Cs400479M |
0.592 |
|
| 2013 |
Cheng L, Ferguson GA, Zygmunt SA, Curtiss LA. Structure-activity relationships for propane oxidative dehydrogenation by anatase-supported vanadium oxide monomers and dimers Journal of Catalysis. 302: 31-36. DOI: 10.1016/J.Jcat.2013.02.012 |
0.363 |
|
| 2013 |
Kim T, Assary RS, Kim H, Marshall CL, Gosztola DJ, Curtiss LA, Stair PC. Effects of solvent on the furfuryl alcohol polymerization reaction: UV Raman spectroscopy study Catalysis Today. 205: 60-66. DOI: 10.1016/J.Cattod.2012.09.033 |
0.547 |
|
| 2012 |
González Maldonado GM, Assary RS, Dumesic J, Curtiss LA. Acid-Catalyzed Conversion of Furfuryl Alcohol to Ethyl Levulinate in Liquid Ethanol. Energy & Environmental Science. 5: 8990-8997. PMID 25035710 DOI: 10.1039/C2Ee22486K |
0.591 |
|
| 2012 |
Assary RS, Kim T, Low JJ, Greeley J, Curtiss LA. Glucose and fructose to platform chemicals: understanding the thermodynamic landscapes of acid-catalysed reactions using high-level ab initio methods. Physical Chemistry Chemical Physics : Pccp. 14: 16603-11. PMID 22932938 DOI: 10.1039/C2Cp41842H |
0.608 |
|
| 2012 |
Bermejo-Deval R, Assary RS, Nikolla E, Moliner M, Román-Leshkov Y, Hwang SJ, Palsdottir A, Silverman D, Lobo RF, Curtiss LA, Davis ME. Metalloenzyme-like catalyzed isomerizations of sugars by Lewis acid zeolites. Proceedings of the National Academy of Sciences of the United States of America. 109: 9727-32. PMID 22665778 DOI: 10.1073/Pnas.1206708109 |
0.576 |
|
| 2012 |
Assary RS, Broadbelt LJ, Curtiss LA. Brønsted-Evans-Polanyi relationships for C-C bond forming and C-C bond breaking reactions in thiamine-catalyzed decarboxylation of 2-keto acids using density functional theory. Journal of Molecular Modeling. 18: 145-50. PMID 21523538 DOI: 10.1007/S00894-011-1062-Z |
0.688 |
|
| 2012 |
González Maldonado GM, Assary RS, Dumesic J, Curtiss LA. Experimental and theoretical studies of the acid-catalyzed conversion of furfuryl alcohol to levulinic acid in aqueous solution Energy and Environmental Science. 5: 6981-6989. DOI: 10.1039/C2Ee03465D |
0.59 |
|
| 2012 |
He H, Zapol P, Curtiss LA. Computational screening of dopants for photocatalytic two-electron reduction of CO 2 on anatase (101) surfaces Energy and Environmental Science. 5: 6196-6205. DOI: 10.1039/C2Ee02665A |
0.581 |
|
| 2012 |
Feng Z, Cheng L, Kim CY, Elam JW, Zhang Z, Curtiss LA, Zapol P, Bedzyk MJ. Atomic-scale study of ambient-pressure redox-induced changes for an oxide-supported submonolayer catalyst: VO x/α-TiO 2(110) Journal of Physical Chemistry Letters. 3: 2845-2850. DOI: 10.1021/Jz3011546 |
0.608 |
|
| 2012 |
Lau KC, Assary RS, Redfern P, Greeley J, Curtiss LA. Electronic structure of lithium peroxide clusters and relevance to lithium-air batteries Journal of Physical Chemistry C. 116: 23890-23896. DOI: 10.1021/Jp306024F |
0.584 |
|
| 2012 |
Ferguson GA, Yin C, Kwon G, Tyo EC, Lee S, Greeley JP, Zapol P, Lee B, Seifert S, Winans RE, Vajda S, Curtiss LA. Stable subnanometer cobalt oxide clusters on ultrananocrystalline diamond and alumina supports: Oxidation state and the origin of sintering resistance Journal of Physical Chemistry C. 116: 24027-24034. DOI: 10.1021/Jp3041956 |
0.547 |
|
| 2012 |
Kim H, Ferguson GA, Cheng L, Zygmunt SA, Stair PC, Curtiss LA. Structure-specific reactivity of alumina-supported monomeric vanadium oxide species Journal of Physical Chemistry C. 116: 2927-2932. DOI: 10.1021/Jp209326H |
0.366 |
|
| 2012 |
Assary RS, Curtiss LA. Comparison of sugar molecule decomposition through glucose and fructose: A high-level quantum chemical study Energy and Fuels. 26: 1344-1352. DOI: 10.1021/ef201654s |
0.537 |
|
| 2012 |
Assary RS, Curtiss LA. Theoretical studies for the formation of γ-valero-lactone from levulinic acid and formic acid by homogeneous catalysis Chemical Physics Letters. 541: 21-26. DOI: 10.1016/j.cplett.2012.05.060 |
0.527 |
|
| 2012 |
Russell J, Zapol P, Král P, Curtiss LA. Methane bond activation by Pt and Pd subnanometer clusters supported on graphene and carbon nanotubes Chemical Physics Letters. 536: 9-13. DOI: 10.1016/J.Cplett.2012.03.080 |
0.559 |
|
| 2012 |
Kim T, Assary RS, Marshall CL, Gosztola DJ, Curtiss LA, Stair PC. Studies of the Raman spectra of cyclic and acyclic molecules: Combination and prediction spectrum methods Chemical Physics Letters. 531: 210-215. DOI: 10.1016/J.Cplett.2012.02.002 |
0.557 |
|
| 2012 |
Assary RS, Curtiss LA. Thermochemistry and Reaction Barriers for the Formation of Levoglucosenone from Cellobiose Chemcatchem. 4: 200-205. DOI: 10.1002/cctc.201100280 |
0.563 |
|
| 2011 |
Assary RS, Curtiss LA. Theoretical study of 1,2-hydride shift associated with the isomerization of glyceraldehyde to dihydroxy acetone by Lewis acid active site models. The Journal of Physical Chemistry. A. 115: 8754-60. PMID 21707087 DOI: 10.1021/jp204371g |
0.558 |
|
| 2011 |
Assary RS, Redfern PC, Greeley J, Curtiss LA. Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods. The Journal of Physical Chemistry. B. 115: 4341-9. PMID 21443225 DOI: 10.1021/jp1104278 |
0.602 |
|
| 2011 |
Zhang Z, Lu J, Assary RS, Du P, Wang HH, Sun YK, Qin Y, Lau KC, Greeley J, Redfern PC, Iddir H, Curtiss LA, Amine K. Increased stability toward oxygen reduction products for lithium-air batteries with oligoether-functionalized silane electrolytes Journal of Physical Chemistry C. 115: 25535-25542. DOI: 10.1021/Jp2087412 |
0.621 |
|
| 2011 |
Cheng L, Curtiss LA, Assary RS, Greeley J, Kerber T, Sauer J. Adsorption and diffusion of fructose in zeolite HZSM-5: Selection of models and methods for computational studies Journal of Physical Chemistry C. 115: 21785-21790. DOI: 10.1021/Jp2062018 |
0.64 |
|
| 2011 |
Assary RS, Curtiss LA, Redfern PC, Zhang Z, Amine K. Computational studies of polysiloxanes: Oxidation potentials and decomposition reactions Journal of Physical Chemistry C. 115: 12216-12223. DOI: 10.1021/Jp2019796 |
0.609 |
|
| 2011 |
Horner DA, Sternberg M, Zapol P, Curtiss LA. Carbon nanotunnels form from single-walled carbon nanotubes interacting with a diamond (100)-(2 × 1) surface Diamond and Related Materials. 20: 1103-1109. DOI: 10.1016/J.Diamond.2011.06.018 |
0.553 |
|
| 2011 |
Curtiss LA, Redfern PC, Raghavachari K. Gn theory Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 810-825. DOI: 10.1002/wcms.59 |
0.346 |
|
| 2011 |
Kim T, Assary RS, Curtiss LA, Marshall CL, Stair PC. Vibrational properties of levulinic acid and furan derivatives: Raman spectroscopy and theoretical calculations Journal of Raman Spectroscopy. 42: 2069-2076. DOI: 10.1002/Jrs.2951 |
0.546 |
|
| 2011 |
Kim T, Assary RS, Marshall CL, Gosztola DJ, Curtiss LA, Stair PC. Acid-catalyzed furfuryl alcohol polymerization: Characterizations of molecular structure and thermodynamic properties Chemcatchem. 3: 1451-1458. DOI: 10.1002/Cctc.201100098 |
0.578 |
|
| 2010 |
Mehmood F, Greeley J, Zapol P, Curtiss LA. Comparative density functional study of methanol decomposition on Cu4 and Co4 clusters. The Journal of Physical Chemistry. B. 114: 14458-66. PMID 20704288 DOI: 10.1021/Jp101594Z |
0.558 |
|
| 2010 |
Assary RS, Redfern PC, Hammond JR, Greeley J, Curtiss LA. Computational studies of the thermochemistry for conversion of glucose to levulinic acid. The Journal of Physical Chemistry. B. 114: 9002-9. PMID 20572641 DOI: 10.1021/Jp101418F |
0.606 |
|
| 2010 |
Lee S, Lee B, Mehmood F, Seifert S, Libera JA, Elam JW, Greeley J, Zapol P, Curtiss LA, Pellin MJ, Stair PC, Winans RE, Vajda S. Oxidative decomposition of methanol on subnanometer palladium clusters: The effect of catalyst size and support composition Journal of Physical Chemistry C. 114: 10342-10348. DOI: 10.1021/Jp912220W |
0.546 |
|
| 2010 |
He H, Zapol P, Curtiss LA. A theoretical study of CO2 anions on anatase (101) surface Journal of Physical Chemistry C. 114: 21474-21481. DOI: 10.1021/Jp106579B |
0.563 |
|
| 2010 |
Zhang Z, Zhang L, Schlueter JA, Redfern PC, Curtiss L, Amine K. Understanding the redox shuttle stability of 3,5-di-tert-butyl-1,2-dimethoxybenzene for overcharge protection of lithium-ion batteries Journal of Power Sources. 195: 4957-4962. DOI: 10.1016/J.Jpowsour.2010.02.075 |
0.394 |
|
| 2010 |
Curtiss LA, Redfern PC, Raghavachari K. Assessment of Gaussian-4 theory for energy barriers Chemical Physics Letters. 499: 168-172. DOI: 10.1016/J.Cplett.2010.09.012 |
0.458 |
|
| 2010 |
Assary RS, Redfern PC, Hammond JR, Greeley J, Curtiss LA. Predicted thermochemistry for chemical conversions of 5- hydroxymethylfurfural Chemical Physics Letters. 497: 123-128. DOI: 10.1016/J.Cplett.2010.07.082 |
0.601 |
|
| 2009 |
Mayhall NJ, Raghavachari K, Redfern PC, Curtiss LA. Investigation of Gaussian4 theory for transition metal thermochemistry. The Journal of Physical Chemistry. A. 113: 5170-5. PMID 19341257 DOI: 10.1021/Jp809179Q |
0.415 |
|
| 2009 |
Vajda S, Pellin MJ, Greeley JP, Marshall CL, Curtiss LA, Ballentine GA, Elam JW, Catillon-Mucherie S, Redfern PC, Mehmood F, Zapol P. Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane. Nature Materials. 8: 213-6. PMID 19202544 DOI: 10.1038/Nmat2384 |
0.577 |
|
| 2009 |
Kim HS, Zygmunt SA, Stair PC, Zapol P, Curtiss LA. Monomeric vanadium oxide on a θ-Al 2O 3 support: A combined experimental/theoretical study Journal of Physical Chemistry C. 113: 8836-8843. DOI: 10.1021/Jp900158E |
0.572 |
|
| 2009 |
Titov A, Zapol P, Kral P, Liu DJ, Iddir H, Baishya K, Curtiss LA. Catalytic Fe-xN sites in carbon nanotubes Journal of Physical Chemistry C. 113: 21629-21634. DOI: 10.1021/Jp810792D |
0.562 |
|
| 2008 |
Mayhall NJ, Raghavachari K, Redfern PC, Curtiss LA, Rassolov V. Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn. The Journal of Chemical Physics. 128: 144122. PMID 18412438 DOI: 10.1063/1.2896084 |
0.432 |
|
| 2007 |
Curtiss LA, Redfern PC, Raghavachari K. Gaussian-4 theory using reduced order perturbation theory. The Journal of Chemical Physics. 127: 124105. PMID 17902891 DOI: 10.1063/1.2770701 |
0.387 |
|
| 2007 |
Curtiss LA, Redfern PC, Raghavachari K. Gaussian-4 theory. The Journal of Chemical Physics. 126: 084108. PMID 17343441 DOI: 10.1063/1.2436888 |
0.44 |
|
| 2007 |
Iddir H, Fong DD, Zapol P, Fuoss PH, Curtiss LA, Zhou GW, Eastman JA. Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.241404 |
0.525 |
|
| 2007 |
Adiga SP, Zapol P, Curtiss LA. Structure and morphology of hydroxylated amorphous alumina surfaces Journal of Physical Chemistry C. 111: 7422-7429. DOI: 10.1021/Jp0701035 |
0.531 |
|
| 2007 |
Erdin S, Lin Y, Halley JW, Zapol P, Redfern P, Curtiss L. Self-consistent tight binding molecular dynamics study of TiO2 nanoclusters in water Journal of Electroanalytical Chemistry. 607: 147-157. DOI: 10.1016/J.Jelechem.2007.03.016 |
0.569 |
|
| 2007 |
Horner DA, Redfern PC, Sternberg M, Zapol P, Curtiss LA. Increased reactivity of single wall carbon nanotubes at carbon ad-dimer defect sites Chemical Physics Letters. 450: 71-75. DOI: 10.1016/J.Cplett.2007.10.079 |
0.546 |
|
| 2007 |
Vega-Arroyo M, LeBreton PR, Zapol P, Curtiss LA, Rajh T. Quantum chemical study of TiO2/dopamine-DNA triads Chemical Physics. 339: 164-172. DOI: 10.1016/J.Chemphys.2007.06.037 |
0.51 |
|
| 2006 |
Beloborodov IS, Zapol P, Gruen DM, Curtiss LA. Transport properties of n-type ultrananocrystalline diamond films Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.235434 |
0.496 |
|
| 2005 |
Chen LX, Shaw GB, Tiede DM, Zuo X, Zapol P, Redfern PC, Curtiss LA, Sooksimuang T, Mandal BK. Excited state dynamics and structures of functionalized phthalocyanines. 1. Self-regulated assembly of zinc helicenocyanine. The Journal of Physical Chemistry. B. 109: 16598-609. PMID 16853112 DOI: 10.1021/Jp051947W |
0.527 |
|
| 2005 |
Curtiss LA, Redfern PC, Raghavachari K. Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies. The Journal of Chemical Physics. 123: 124107. PMID 16392475 DOI: 10.1063/1.2039080 |
0.442 |
|
| 2005 |
Duan Y, Halley JW, Curtiss L, Redfern P. Mechanisms of lithium transport in amorphous polyethylene oxide. The Journal of Chemical Physics. 122: 54702. PMID 15740341 DOI: 10.1063/1.1839555 |
0.336 |
|
| 2005 |
Adiga SP, Zapol P, Curtiss LA. Atomistic simulations of nanoporous anodic aluminum oxide Materials Research Society Symposium Proceedings. 900: 439-444. DOI: 10.1557/Proc-0900-O12-17 |
0.513 |
|
| 2005 |
Raghavachari K, Curtiss LA. G2, G3 and associated quantum chemical models for accurate theoretical thermochemistry Theory and Applications of Computational Chemistry. 785-812. DOI: 10.1016/B978-044451719-7/50070-6 |
0.377 |
|
| 2005 |
Saponjic ZV, Dimitrijevic NM, Tiede DM, Goshe AJ, Zuo X, Chen LX, Barnard AS, Zapol P, Curtiss L, Rajh T. Shaping nanometer-scale architecture through surface chemistry Advanced Materials. 17: 965-971. DOI: 10.1002/Adma.200401041 |
0.551 |
|
| 1996 |
Boinske PT, Curtiss L, Halley JW, Lin B, Sutjianto A. Lithium ion transport in a model of amorphous polyethylene oxide Journal of Computer-Aided Materials Design. 3: 385-402. DOI: 10.1007/Bf01185677 |
0.31 |
|
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