| Year |
Citation |
Score |
| 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 |
0.469 |
|
| 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, ... Assary RS, 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 |
0.475 |
|
| 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 |
0.458 |
|
| 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, 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 |
0.505 |
|
| 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 |
0.459 |
|
| 2022 |
Bheemireddy SR, Li Z, Zhang J, Agarwal G, Robertson LA, Shkrob IA, Assary RS, Zhang Z, Wei X, Cheng L, Zhang L. Fluorination Enables Simultaneous Improvements of a Dialkoxybenzene-Based Redoxmer for Nonaqueous Redox Flow Batteries. Acs Applied Materials & Interfaces. PMID 35709493 DOI: 10.1021/acsami.2c04926 |
0.431 |
|
| 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 |
0.471 |
|
| 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 |
0.479 |
|
| 2020 |
Zhao Y, Sarnello ES, Robertson LA, Zhang J, Shi Z, Yu Z, Bheemireddy SR, Z Y, Li T, Assary RS, Cheng L, Zhang Z, Zhang L, Shkrob IA. Competitive Pi-Stacking and H-Bond Piling Increase Solubility of Heterocyclic Redoxmers. The Journal of Physical Chemistry. B. PMID 33158362 DOI: 10.1021/acs.jpcb.0c07647 |
0.414 |
|
| 2020 |
Shkrob IA, Li T, Sarnello E, Robertson LA, Zhao Y, Farag H, Yu Z, Zhang J, Bheemireddy SR, Z Y, Assary RS, Ewoldt RH, Cheng L, Zhang L. Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules. The Journal of Physical Chemistry. B. PMID 33119315 DOI: 10.1021/acs.jpcb.0c07760 |
0.364 |
|
| 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 |
0.47 |
|
| 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, 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 |
0.682 |
|
| 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 |
0.508 |
|
| 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, 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 |
0.699 |
|
| 2019 |
Zhou M, Cheng L, Liu B, Curtiss LA, Assary RS. A First-Principles Investigation of Gas-Phase Ring-Opening Reaction of Furan over HZSM-5 and Ga-Substituted ZSM-5 Industrial & Engineering Chemistry Research. 58: 15127-15133. DOI: 10.1021/ACS.IECR.9B01969 |
0.307 |
|
| 2019 |
Jiang Z, Xu G, Yu Z, Zhou T, Shi W, Luo C, Zhou H, Chen L, Sheng W, Zhou M, Cheng L, Assary RS, Sun S, Amine K, Sun H. High rate and long cycle life in Li-O2 batteries with highly efficient catalytic cathode configured with Co3O4 nanoflower Nano Energy. 64: 103896. DOI: 10.1016/J.Nanoen.2019.103896 |
0.44 |
|
| 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, 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 |
0.693 |
|
| 2018 |
Zhou M, Cheng L, Choi J, Liu B, Curtiss LA, Assary RS. Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo2C (001) Surface: A Density Functional Theory Study The Journal of Physical Chemistry C. 122: 1595-1603. DOI: 10.1021/Acs.Jpcc.7B09870 |
0.396 |
|
| 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 |
0.483 |
|
| 2017 |
Cheng L, Redfern P, Lau KC, Assary RS, Narayanan B, Curtiss LA. Computational Studies of Solubilities of LiO2and Li2O2in Aprotic Solvents Journal of the Electrochemical Society. 164: E3696-E3701. DOI: 10.1149/2.0721711jes |
0.313 |
|
| 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 |
0.573 |
|
| 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 |
0.466 |
|
| 2016 |
Genorio B, Staszak-Jirkovský J, Assary RS, Connell JG, Strmcnik D, Diesendruck CE, Lopes PP, Stamenkovic VR, Moore JS, Curtiss LA, Markovic NM. Superoxide (Electro)Chemistry on Well-Defined Surfaces in Organic Environments Journal of Physical Chemistry C. 120: 15909-15914. DOI: 10.1021/Acs.Jpcc.5B12230 |
0.305 |
|
| 2016 |
Abouimrane A, Cui Y, Chen Z, Belharouak I, Yahia HB, Wu H, Assary R, Curtiss LA, Amine K. Enabling high energy density Li-ion batteries through Li2O activation Nano Energy. 27: 196-201. DOI: 10.1016/J.Nanoen.2016.06.050 |
0.371 |
|
| 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 |
0.511 |
|
| 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 |
0.558 |
|
| 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 |
0.52 |
|
| 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 |
0.52 |
|
| 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 |
0.534 |
|
| 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 |
0.452 |
|
| 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 |
0.578 |
|
| 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 |
0.494 |
|
| 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, 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 |
0.55 |
|
| 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 |
0.546 |
|
| 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 |
0.517 |
|
| 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 |
0.509 |
|
| 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 |
0.425 |
|
| 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 |
0.501 |
|
| 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 |
0.545 |
|
| 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 |
0.441 |
|
| 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 |
0.482 |
|
| 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 |
0.493 |
|
| 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, et al. Magnetism in lithium-oxygen discharge product. Chemsuschem. 6: 1196-202. PMID 23670967 DOI: 10.1002/Cssc.201300223 |
0.492 |
|
| 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 |
0.486 |
|
| 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 |
0.504 |
|
| 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 |
0.523 |
|
| 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 |
0.477 |
|
| 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 |
0.427 |
|
| 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 |
0.485 |
|
| 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 |
0.524 |
|
| 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 |
0.466 |
|
| 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 |
0.634 |
|
| 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 |
0.494 |
|
| 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 |
0.446 |
|
| 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 |
0.404 |
|
| 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 |
0.399 |
|
| 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 |
0.433 |
|
| 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 |
0.45 |
|
| 2011 |
Sundararajan M, Assary RS, Hillier IH, Vaughan DJ. The mechanism of the reduction of [AnO2]2+ (An = U, Np, Pu) in aqueous solution, and by Fe(II) containing proteins and mineral surfaces, probed by DFT calculations. Dalton Transactions (Cambridge, England : 2003). 40: 11156-63. PMID 21837318 DOI: 10.1039/C1Dt10700C |
0.632 |
|
| 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 |
0.425 |
|
| 2011 |
Wu D, Wang Q, Assary RS, Broadbelt LJ, Krilov G. A computational approach to design and evaluate enzymatic reaction pathways: Application to 1-butanol production from pyruvate Journal of Chemical Information and Modeling. 51: 1634-1647. PMID 21671635 DOI: 10.1021/Ci2000659 |
0.489 |
|
| 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 |
0.503 |
|
| 2011 |
Assary RS, Broadbelt LJ. Computational screening of novel thiamine-catalyzed decarboxylation reactions of 2-keto acids Bioprocess and Biosystems Engineering. 34: 378-388. PMID 21061135 DOI: 10.1007/S00449-010-0481-Z |
0.485 |
|
| 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 |
0.518 |
|
| 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 |
0.552 |
|
| 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 |
0.503 |
|
| 2011 |
Assary RS, Broadbelt LJ. 2-Keto acids to branched-chain alcohols as biofuels: Application of reaction network analysis and high-level quantum chemical methods to understand thermodynamic landscapes Computational and Theoretical Chemistry. 978: 160-165. DOI: 10.1016/J.Comptc.2011.10.009 |
0.527 |
|
| 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 |
0.411 |
|
| 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 |
0.464 |
|
| 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 |
0.509 |
|
| 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 |
0.491 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2017 |
Wang H, Lee YJ, Assary RS, Zhang C, Luo X, Redfern PC, Lu J, Lee YJ, Kim DH, Kang T, Indacochea E, Lau KC, Amine K, Curtiss LA. Lithium Superoxide Hydrolysis and Relevance to Li–O2 Batteries The Journal of Physical Chemistry C. 121: 9657-9661. DOI: 10.1021/Acs.Jpcc.6B12950 |
0.288 |
|
| 2016 |
Assary RS, Zhang L, Huang J, Curtiss LA. Molecular Level Understanding of the Factors Affecting the Stability of Dimethoxy Benzene Catholyte Candidates from First-Principles Investigations The Journal of Physical Chemistry C. 120: 14531-14538. DOI: 10.1021/Acs.Jpcc.6B04263 |
0.282 |
|
| 2017 |
Zhang J, Shkrob IA, Assary RS, Tung So, Silcox B, Curtiss LA, Thompson L, Zhang L. Toward Improved Catholyte Materials for Redox Flow Batteries: What Controls Chemical Stability of Persistent Radical Cations? The Journal of Physical Chemistry C. 121: 23347-23358. DOI: 10.1021/Acs.Jpcc.7B08281 |
0.269 |
|
| 2016 |
Carino EV, Staszak-Jirkovsky J, Assary RS, Curtiss LA, Markovic NM, Brushett FR. Tuning the Stability of Organic Active Materials for Nonaqueous Redox Flow Batteries via Reversible, Electrochemically Mediated Li+ Coordination Chemistry of Materials. 28: 2529-2539. DOI: 10.1021/Acs.Chemmater.5B04053 |
0.267 |
|
| 2017 |
Zhang J, Yang Z, Shkrob IA, Assary RS, Tung So, Silcox B, Duan W, Zhang J, Su CC, Hu B, Pan B, Liao C, Zhang Z, Wang W, Curtiss LA, et al. Annulated Dialkoxybenzenes as Catholyte Materials for Non-aqueous Redox Flow Batteries: Achieving High Chemical Stability through Bicyclic Substitution Advanced Energy Materials. 7: 1701272. DOI: 10.1002/Aenm.201701272 |
0.267 |
|
| 2018 |
Zhang J, Shkrob IA, Assary RS, Zhang S, Hu B, Liao C, Zhang Z, Zhang L. Dual overcharge protection and solid electrolyte interphase-improving action in Li-ion cells containing a bis-annulated dialkoxyarene electrolyte additive Journal of Power Sources. 378: 264-267. DOI: 10.1016/J.Jpowsour.2017.12.059 |
0.257 |
|
| 2015 |
Sevov CS, Brooner RE, Chénard E, Assary RS, Moore JS, Rodríguez-López J, Sanford MS. Evolutionary Design of Low Molecular Weight Organic Anolyte Materials for Applications in Nonaqueous Redox Flow Batteries. Journal of the American Chemical Society. PMID 26514666 DOI: 10.1021/Jacs.5B09572 |
0.246 |
|
| 2016 |
Fan FY, Pan MS, Lau KC, Assary RS, Woodford WH, Curtiss LA, Carter WC, Chiang Y. Solvent Effects on Polysulfide Redox Kinetics and Ionic Conductivity in Lithium-Sulfur Batteries Journal of the Electrochemical Society. 163: A3111-A3116. DOI: 10.1149/2.1181614Jes |
0.244 |
|
| 2023 |
Ilic S, Lavan SN, Leon NJ, Liu H, Jain A, Key B, Assary RS, Liao C, Connell JG. Mixed-Anion Contact Ion-Pair Formation Enabling Improved Performance of Halide-Free Mg-Ion Electrolytes. Acs Applied Materials & Interfaces. PMID 38147639 DOI: 10.1021/acsami.3c11293 |
0.243 |
|
| 2018 |
Zhang J, Huang J, Robertson LA, Assary RS, Shkrob IA, Zhang L. Elucidating Factors Controlling Long-Term Stability of Radical Anions for Negative Charge Storage in Nonaqueous Redox Flow Batteries The Journal of Physical Chemistry C. 122: 8116-8127. DOI: 10.1021/Acs.Jpcc.8B01434 |
0.238 |
|
| 2022 |
Cencer MM, Li C, Agarwal G, Gomes Neto RJ, Amanchukwu CV, Assary RS. Interactions of CO Anion Radicals with Electrolyte Environments from First-Principles Simulations. Acs Omega. 7: 18131-18138. PMID 35664611 DOI: 10.1021/acsomega.2c01733 |
0.232 |
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| 2020 |
Connell JG, Zorko M, Agarwal G, Yang M, Liao C, Assary RS, Strmcnik D, Markovic NM. Anion Association Strength as a Unifying Descriptor for the Reversibility of Divalent Metal Deposition in Non-Aqueous Electrolytes. Acs Applied Materials & Interfaces. PMID 32667178 DOI: 10.1021/Acsami.0C09404 |
0.223 |
|
| 2023 |
Jain A, Shkrob IA, Doan HA, Adams K, Moore JS, Assary RS. Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries. Acs Applied Materials & Interfaces. 15: 58309-58319. PMID 38071647 DOI: 10.1021/acsami.3c11741 |
0.215 |
|
| 2017 |
Zhang J, Yang Z, Shkrob IA, Assary RS, Tung So, Silcox B, Duan W, Zhang J, Su CC, Hu B, Pan B, Liao C, Zhang Z, Wang W, Curtiss LA, et al. Redox Flow Batteries: Annulated Dialkoxybenzenes as Catholyte Materials for Non-aqueous Redox Flow Batteries: Achieving High Chemical Stability through Bicyclic Substitution (Adv. Energy Mater. 21/2017) Advanced Energy Materials. 7. DOI: 10.1002/Aenm.201770121 |
0.201 |
|
| 2012 |
Assary RS, Curtiss LA. Cover Picture: Thermochemistry and Reaction Barriers for the Formation of Levoglucosenone from Cellobiose (ChemCatChem 2/2012) Chemcatchem. 4: 137-137. DOI: 10.1002/CCTC.201290000 |
0.199 |
|
| 2014 |
Lu J, Lei Y, Lau KC, Luo X, Du P, Wen J, Assary RS, Das U, Miller D, Elam JW, Albishri HM, El-Hady DA, Sun Y, Curtiss LA, Amine K. Erratum: Corrigendum: A nanostructured cathode architecture for low charge overpotential in lithium-oxygen batteries Nature Communications. 5. DOI: 10.1038/Ncomms4290 |
0.199 |
|
| 2019 |
Zhang J, Shkrob IA, Assary RS, Clark RJ, Wilson RE, Jiang S, Meisner QJ, Zhu L, Hu B, Zhang L. An extremely durable redox shuttle additive for overcharge protection of lithium-ion batteries Materials Today Energy. 13: 308-311. DOI: 10.1016/J.Mtener.2019.06.003 |
0.192 |
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| 2020 |
Doan HA, Agarwal G, Qian H, Counihan MJ, Rodríguez-López J, Moore JS, Assary RS. Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials Chemistry of Materials. 32: 6338-6346. DOI: 10.1021/Acs.Chemmater.0C00768 |
0.191 |
|
| 2018 |
Halder A, Wang H, Lau KC, Assary RS, Lu J, Vajda S, Amine K, Curtiss LA. Identification and Implications of Lithium Superoxide in Li–O2 Batteries Acs Energy Letters. 3: 1105-1109. DOI: 10.1021/Acsenergylett.8B00385 |
0.19 |
|
| 2018 |
Huang J, Duan W, Zhang J, Shkrob IA, Assary RS, Pan B, Liao C, Zhang Z, Wei X, Zhang L. Substituted thiadiazoles as energy-rich anolytes for nonaqueous redox flow cells Journal of Materials Chemistry A. 6: 6251-6254. DOI: 10.1039/C8Ta01059E |
0.184 |
|
| 2019 |
Ward L, Blaiszik B, Foster I, Assary RS, Narayanan B, Curtiss L. Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations Mrs Communications. 9: 891-899. DOI: 10.1557/Mrc.2019.107 |
0.183 |
|
| 2016 |
Chénard E, Sutrisno A, Zhu L, Assary RS, Kowalski JA, Barton JL, Bertke JA, Gray DL, Brushett FR, Curtiss LA, Moore JS. Synthesis of Pyridine- and Pyrazine-BF3 Complexes and Their Characterization in Solution and Solid State Journal of Physical Chemistry C. 120: 8461-8471. DOI: 10.1021/Acs.Jpcc.6B00858 |
0.179 |
|
| 2016 |
Burgess M, Chénard E, Hernández-Burgos K, Nagarjuna G, Assary RS, Hui J, Moore JS, Rodríguez-López J. Impact of Backbone Tether Length and Structure on the Electrochemical Performance of Viologen Redox Active Polymers Chemistry of Materials. 28: 7362-7374. DOI: 10.1021/Acs.Chemmater.6B02825 |
0.175 |
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| 2018 |
Huang J, Yang Z, Murugesan V, Walter E, Hollas A, Pan B, Assary RS, Shkrob IA, Wei X, Zhang Z. Spatially Constrained Organic Diquat Anolyte for Stable Aqueous Flow Batteries Acs Energy Letters. 3: 2533-2538. DOI: 10.1021/Acsenergylett.8B01550 |
0.171 |
|
| 2018 |
Krishna SH, Assary RS, Rashke QA, Schmidt ZR, Curtiss LA, Dumesic JA, Huber GW. Mechanistic Insights into the Hydrogenolysis of Levoglucosanol over Bifunctional Platinum Silica–Alumina Catalysts Acs Catalysis. 8: 3743-3753. DOI: 10.1021/Acscatal.7B03764 |
0.155 |
|
| 2019 |
Assary RS, Curtiss LA. Oxidative decomposition mechanisms of lithium peroxide clusters: an Ab Initio study Molecular Physics. 117: 1459-1468. DOI: 10.1080/00268976.2018.1559955 |
0.145 |
|
| 2019 |
Wang H, Feng X, Chen Y, Liu Y, Han KS, Zhou M, Engelhard MH, Murugesan V, Assary RS, Liu TL, Henderson W, Nie Z, Gu M, Xiao J, Wang C, et al. Reversible Electrochemical Interface of Mg Metal and Conventional Electrolyte Enabled by Intermediate Adsorption Acs Energy Letters. 5: 200-206. DOI: 10.1021/Acsenergylett.9B02211 |
0.14 |
|
| 2020 |
Howard JD, Assary RS, Curtiss LA. Insights into the Interaction of Redox Active Organic Molecules and Solvents with the Pristine and Defective Graphene Surfaces from Density Functional Theory The Journal of Physical Chemistry C. 124: 2799-2805. DOI: 10.1021/acs.jpcc.9b10403 |
0.138 |
|
| 2011 |
Kim T, Assary RS, Marshall CL, Gosztola DJ, Curtiss LA, Stair PC. Cover Picture: Acid-Catalyzed Furfuryl Alcohol Polymerization: Characterizations of Molecular Structure and Thermodynamic Properties (ChemCatChem 9/2011) Chemcatchem. 3: 1369-1369. DOI: 10.1002/Cctc.201190037 |
0.137 |
|
| 2013 |
Lu J, Jung H, Lau KC, Zhang Z, Schlueter JA, Du P, Assary RS, Greeley J, Ferguson GA, Wang H, Hassoun J, Iddir H, Zhou J, Zuin L, Hu Y, et al. Back Cover: Magnetism in Lithium-Oxygen Discharge Product (ChemSusChem 7/2013) Chemsuschem. 6: 1288-1288. DOI: 10.1002/Cssc.201300562 |
0.11 |
|
| 2017 |
Lohr TL, Li Z, Assary RS, Curtiss LA, Marks TJ. Correction: Mono- and tri-ester hydrogenolysis using tandem catalysis. Scope and mechanism Energy & Environmental Science. 10: 2042-2042. DOI: 10.1039/C7Ee90049J |
0.106 |
|
| 2020 |
Zhou M, Doan HA, Curtiss LA, Assary RS. Effect of Ni Dopant on Furan Activation over Mo2C Surface: Insights from First-Principles-Based Microkinetic Modeling The Journal of Physical Chemistry C. 124: 5636-5646. DOI: 10.1021/acs.jpcc.9b10126 |
0.1 |
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| 2020 |
Chen Y, Jaegers NR, Han KS, Wang H, Young RP, Agarwal G, Lipton AS, Assary RS, Washton NM, Hu JZ, Mueller KT, Murugesan V. Probing Conformational Evolution and Associated Dynamics of Mg(N(SO2CF3)2)2·Dimethoxyethane Adduct Using Solid-State 19F and 1H NMR The Journal of Physical Chemistry C. 124: 4999-5008. DOI: 10.1021/acs.jpcc.9b10212 |
0.043 |
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