Larry A Curtiss

Larry A Curtiss

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Larry A Curtiss

Publications by authors named "Larry A Curtiss"

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Hydrogen Activation by Silica-Supported Metal Ion Catalysts: Catalytic Properties of Metals and Performance of DFT Functionals.

J Phys Chem A 2019 Jan 20;123(1):171-186. Epub 2018 Dec 20.

Chemical Sciences and Engineering Division , Argonne National Laboratory , 9700 South Cass Avenue , Lemont Illinois 60439 United States.

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http://dx.doi.org/10.1021/acs.jpca.8b08340DOI Listing
January 2019

Crystal Orientation-Dependent Reactivity of Oxide Surfaces in Contact with Lithium Metal.

ACS Appl Mater Interfaces 2018 May 9;10(20):17471-17479. Epub 2018 May 9.

Department of Mechanical Engineering , University of Michigan , Ann Arbor , Michigan 48109 , United States.

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http://dx.doi.org/10.1021/acsami.8b03078DOI Listing
May 2018

Perspective: Size selected clusters for catalysis and electrochemistry.

J Chem Phys 2018 Mar;148(11):110901

Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.5020301DOI Listing
March 2018

Manipulation of Origin of Life Molecules: Recognizing Single-Molecule Conformations in β-Carotene and Chlorophyll-a/β-Carotene Clusters.

ACS Nano 2018 01 11;12(1):217-225. Epub 2018 Jan 11.

Nanoscale & Quantum Phenomena Institute and Physics & Astronomy Department, Ohio University , Athens, Ohio 45701, United States.

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http://dx.doi.org/10.1021/acsnano.7b05841DOI Listing
January 2018

Effect of the Hydrofluoroether Cosolvent Structure in Acetonitrile-Based Solvate Electrolytes on the Li Solvation Structure and Li-S Battery Performance.

ACS Appl Mater Interfaces 2017 Nov 1;9(45):39357-39370. Epub 2017 Nov 1.

Joint Center for Energy Storage Research , 9700 South Cass Avenue, Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/acsami.7b11566DOI Listing
November 2017

Dendrite-Free Potassium-Oxygen Battery Based on a Liquid Alloy Anode.

ACS Appl Mater Interfaces 2017 Sep 11;9(37):31871-31878. Epub 2017 Sep 11.

Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University , Shenzhen 518055, China.

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http://dx.doi.org/10.1021/acsami.7b08962DOI Listing
September 2017

Sub-4 nm PtZn Intermetallic Nanoparticles for Enhanced Mass and Specific Activities in Catalytic Electrooxidation Reaction.

J Am Chem Soc 2017 04 22;139(13):4762-4768. Epub 2017 Mar 22.

Department of Chemistry, Iowa State University , Ames, Iowa 50011, United States.

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http://dx.doi.org/10.1021/jacs.6b12780DOI Listing
April 2017

Revisiting the Corrosion of the Aluminum Current Collector in Lithium-Ion Batteries.

J Phys Chem Lett 2017 Mar 20;8(5):1072-1077. Epub 2017 Feb 20.

Chemical Sciences and Engineering Division, Argonne National Laboratory , 9700 South Cass Avenue, Lemont, Illinois 60439, United States.

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http://pubs.acs.org/doi/10.1021/acs.jpclett.6b02933
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http://dx.doi.org/10.1021/acs.jpclett.6b02933DOI Listing
March 2017

Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide.

ACS Nano 2017 01 19;11(1):453-460. Epub 2016 Dec 19.

Department of Mechanical and Industrial Engineering, University of Illinois at Chicago , Chicago, Illinois 60607, United States.

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http://dx.doi.org/10.1021/acsnano.6b06392DOI Listing
January 2017

Concentrated Electrolyte for the Sodium-Oxygen Battery: Solvation Structure and Improved Cycle Life.

Angew Chem Int Ed Engl 2016 12 3;55(49):15310-15314. Epub 2016 Nov 3.

Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, OH, 43210, USA.

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http://doi.wiley.com/10.1002/anie.201608607
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http://dx.doi.org/10.1002/anie.201608607DOI Listing
December 2016

The role of nanotechnology in the development of battery materials for electric vehicles.

Nat Nanotechnol 2016 12;11(12):1031-1038

Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://www.nature.com/articles/nnano.2016.207
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http://dx.doi.org/10.1038/nnano.2016.207DOI Listing
December 2016

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 Appl Mater Interfaces 2016 Dec 8;8(50):34360-34371. Epub 2016 Dec 8.

Joint Center for Energy Storage Research , 9700 South Cass Avenue, Argonne, Illinois 60439, United States.

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December 2016

Role of Manganese Deposition on Graphite in the Capacity Fading of Lithium Ion Batteries.

ACS Appl Mater Interfaces 2016 Jun 26;8(22):14244-51. Epub 2016 May 26.

Department of Materials Science and Engineering, University of Illinois , Urbana-Champaign, Urbana, Illinois 61801, United States.

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http://dx.doi.org/10.1021/acsami.6b02061DOI Listing
June 2016

Thermodynamic Stability of Low- and High-Index Spinel LiMn2O4 Surface Terminations.

ACS Appl Mater Interfaces 2016 05 19;8(17):11108-21. Epub 2016 Apr 19.

School of Chemical Engineering, Purdue University , West Lafayette, Indiana 47907, United States.

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http://dx.doi.org/10.1021/acsami.6b01069DOI Listing
May 2016

Cathode Based on Molybdenum Disulfide Nanoflakes for Lithium-Oxygen Batteries.

ACS Nano 2016 Feb 26;10(2):2167-75. Epub 2016 Jan 26.

Materials Science Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/acsnano.5b06672DOI Listing
February 2016

A lithium-oxygen battery based on lithium superoxide.

Nature 2016 Jan 11;529(7586):377-82. Epub 2016 Jan 11.

Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1038/nature16484DOI Listing
January 2016

Migration of Single Iridium Atoms and Tri-iridium Clusters on MgO Surfaces: Aberration-Corrected STEM Imaging and Ab Initio Calculations.

J Phys Chem Lett 2015 Dec 12;6(23):4675-9. Epub 2015 Nov 12.

School of Materials Engineering, Purdue University , West Lafayette, Indiana 47907, United States.

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http://pubs.acs.org/doi/10.1021/acs.jpclett.5b01884
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http://dx.doi.org/10.1021/acs.jpclett.5b01884DOI Listing
December 2015

The Effect of Potassium Impurities Deliberately Introduced into Activated Carbon Cathodes on the Performance of Lithium-Oxygen Batteries.

ChemSusChem 2015 Dec 2;8(24):4235-41. Epub 2015 Dec 2.

Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL, 60439, USA.

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http://dx.doi.org/10.1002/cssc.201500960DOI Listing
December 2015

An atomistically informed mesoscale model for growth and coarsening during discharge in lithium-oxygen batteries.

J Chem Phys 2015 Dec;143(22):224113

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.4936410DOI Listing
December 2015

Carbocation Stability in H-ZSM5 at High Temperature.

J Phys Chem A 2015 Nov 4;119(46):11397-405. Epub 2015 Nov 4.

National Bioenergy Center, National Renewable Energy Laboratory , 15013 Denver West Parkway, Golden, Colorado 80401, United States.

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http://dx.doi.org/10.1021/acs.jpca.5b07025DOI Listing
November 2015

Carbon Dioxide Conversion to Methanol over Size-Selected Cu4 Clusters at Low Pressures.

J Am Chem Soc 2015 Jul 2;137(27):8676-9. Epub 2015 Jul 2.

#Institute for Molecular Engineering, University of Chicago, 5801 South Ellis Avenue, Chicago, Illinois 60637, United States.

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http://dx.doi.org/10.1021/jacs.5b03668DOI Listing
July 2015

A Mo2C/Carbon Nanotube Composite Cathode for Lithium-Oxygen Batteries with High Energy Efficiency and Long Cycle Life.

ACS Nano 2015 Apr 2;9(4):4129-37. Epub 2015 Apr 2.

†Department of Energy Engineering, Hanyang University, Seoul, 133-791, Republic of Korea.

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http://dx.doi.org/10.1021/acsnano.5b00267DOI Listing
April 2015

Interfacial effects on lithium superoxide disproportionation in Li-O₂ batteries.

Nano Lett 2015 Feb 23;15(2):1041-6. Epub 2015 Jan 23.

Chemical Sciences and Engineering Division, ‡Materials Science Division, and §Electron Microscopy Center, Argonne National Laboratory , Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/nl503943zDOI Listing
February 2015

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening.

J Phys Chem Lett 2015 Jan 6;6(2):283-91. Epub 2015 Jan 6.

†Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/jz502319nDOI Listing
January 2015

Computational studies of electrochemical CO2 reduction on subnanometer transition metal clusters.

Phys Chem Chem Phys 2014 Dec;16(48):26584-99

Materials Science Division, Argonne National Laboratory, 9700 S Cass Ave., Lemont IL 60439, USA.

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http://dx.doi.org/10.1039/c4cp02690jDOI Listing
December 2014

Understanding side reactions in K-O2 batteries for improved cycle life.

ACS Appl Mater Interfaces 2014 Nov 22;6(21):19299-307. Epub 2014 Oct 22.

Department of Chemistry and Biochemistry, The Ohio State University , 100 West 18th Avenue, Columbus, Ohio 43210, United States.

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http://dx.doi.org/10.1021/am505351sDOI Listing
November 2014

Investigation of the redox chemistry of anthraquinone derivatives using density functional theory.

J Phys Chem A 2014 Sep 9;118(38):8852-60. Epub 2014 Sep 9.

Materials Science Division, ‡Joint Center for Energy Storage (JCESR), and §Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/jp5060777DOI Listing
September 2014

Effect of the size-selective silver clusters on lithium peroxide morphology in lithium-oxygen batteries.

Nat Commun 2014 Sep 12;5:4895. Epub 2014 Sep 12.

1] Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA [2] Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1038/ncomms5895DOI Listing
September 2014

Raman Evidence for Late Stage Disproportionation in a Li-O2 Battery.

J Phys Chem Lett 2014 Aug 28;5(15):2705-10. Epub 2014 Jul 28.

‡Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://pubs.acs.org/doi/10.1021/jz501323n
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http://dx.doi.org/10.1021/jz501323nDOI Listing
August 2014

Molecular-level insights into the reactivity of siloxane-based electrolytes at a lithium-metal anode.

Chemphyschem 2014 Jul 1;15(10):2077-83. Epub 2014 Jul 1.

Materials Science Division, Argonne National Laboratory, Argonne, IL, 60439 (USA).

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http://dx.doi.org/10.1002/cphc.201402130DOI Listing
July 2014

Investigation of thermochemistry associated with the carbon-carbon coupling reactions of furan and furfural using ab initio methods.

J Phys Chem A 2014 Jun 17;118(25):4392-404. Epub 2014 Jun 17.

Materials Sciences Division, Argonne National Laboratory , Lemont, Illinois 60439, United States.

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http://dx.doi.org/10.1021/jp503702tDOI Listing
June 2014

Influence of electronic type purity on the lithiation of single-walled carbon nanotubes.

ACS Nano 2014 Mar 12;8(3):2399-409. Epub 2014 Feb 12.

Department of Materials Science and Engineering, Northwestern University , Evanston, Illinois 60208, United States.

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http://dx.doi.org/10.1021/nn405921tDOI Listing
March 2014

Structure and Stability of Lithium Superoxide Clusters and Relevance to Li-O2 Batteries.

J Phys Chem Lett 2014 Mar 13;5(5):813-9. Epub 2014 Feb 13.

†Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/jz500084eDOI Listing
March 2014

Rapid ether and alcohol C-O bond hydrogenolysis catalyzed by tandem high-valent metal triflate + supported Pd catalysts.

J Am Chem Soc 2014 Jan 26;136(1):104-7. Epub 2013 Dec 26.

Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208, United States.

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http://pubs.acs.org/doi/10.1021/ja411546r
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http://dx.doi.org/10.1021/ja411546rDOI Listing
January 2014

Disproportionation in Li-O2 batteries based on a large surface area carbon cathode.

J Am Chem Soc 2013 Oct 7;135(41):15364-72. Epub 2013 Oct 7.

Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/ja403199dDOI Listing
October 2013

Magnetism in lithium-oxygen discharge product.

ChemSusChem 2013 Jul 13;6(7):1196-202. Epub 2013 May 13.

Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, IL, USA.

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http://dx.doi.org/10.1002/cssc.201300223DOI Listing
July 2013

Size-dependent subnanometer Pd cluster (Pd4, Pd6, and Pd17) water oxidation electrocatalysis.

ACS Nano 2013 Jul 12;7(7):5808-17. Epub 2013 Jul 12.

Materials Science Division,Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/nn400772sDOI Listing
July 2013

Compatibility of lithium salts with solvent of the non-aqueous electrolyte in Li-O2 batteries.

Phys Chem Chem Phys 2013 Apr;15(15):5572-81

Chemical Science and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA.

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http://xlink.rsc.org/?DOI=c3cp50500f
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http://dx.doi.org/10.1039/c3cp50500fDOI Listing
April 2013

Evidence for lithium superoxide-like species in the discharge product of a Li-O2 battery.

Phys Chem Chem Phys 2013 Mar;15(11):3764-71

Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, IL, USA.

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http://dx.doi.org/10.1039/c3cp00069aDOI Listing
March 2013

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 2013 Jan 3;6(1):51-5. Epub 2012 Dec 3.

Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, USA.

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http://dx.doi.org/10.1002/cssc.201200810DOI Listing
January 2013

Glucose and fructose to platform chemicals: understanding the thermodynamic landscapes of acid-catalysed reactions using high-level ab initio methods.

Phys Chem Chem Phys 2012 Dec 29;14(48):16603-11. Epub 2012 Aug 29.

Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, USA.

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http://dx.doi.org/10.1039/c2cp41842hDOI Listing
December 2012

Acid-Catalyzed Conversion of Furfuryl Alcohol to Ethyl Levulinate in Liquid Ethanol.

Energy Environ Sci 2012 Sep;5(10):8990-8997

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 ; Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439.

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http://dx.doi.org/10.1039/C2EE22486KDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4097379PMC
September 2012

Trends in methanol decomposition on transition metal alloy clusters from scaling and Brønsted-Evans-Polanyi relationships.

Phys Chem Chem Phys 2012 Jun 15;14(24):8644-52. Epub 2012 May 15.

Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, USA.

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http://xlink.rsc.org/?DOI=c2cp00052k
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http://dx.doi.org/10.1039/c2cp00052kDOI Listing
June 2012

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.

J Mol Model 2012 Jan 27;18(1):145-50. Epub 2011 Apr 27.

Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL 60208, USA.

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http://dx.doi.org/10.1007/s00894-011-1062-zDOI Listing
January 2012

Theoretical study of 1,2-hydride shift associated with the isomerization of glyceraldehyde to dihydroxy acetone by Lewis acid active site models.

J Phys Chem A 2011 Aug 18;115(31):8754-60. Epub 2011 Jul 18.

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/jp204371gDOI Listing
August 2011

Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods.

J Phys Chem B 2011 Apr 28;115(15):4341-9. Epub 2011 Mar 28.

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://pubs.acs.org/doi/abs/10.1021/jp1104278
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http://dx.doi.org/10.1021/jp1104278DOI Listing
April 2011

Computational studies of the thermochemistry for conversion of glucose to levulinic acid.

J Phys Chem B 2010 Jul;114(27):9002-9

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/jp101418fDOI Listing
July 2010

Atomic layer deposition-based functionalization of materials for medical and environmental health applications.

Philos Trans A Math Phys Eng Sci 2010 Apr;368(1917):2033-64

Joint Department of Biomedical Engineering, University of North Carolina and North Carolina State University, 2147 Burlington Engineering Labs, Raleigh, NC 27695-7115, USA.

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http://dx.doi.org/10.1098/rsta.2010.0011DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2944392PMC
April 2010

Nanoporous membranes for medical and biological applications.

Wiley Interdiscip Rev Nanomed Nanobiotechnol 2009 Sep-Oct;1(5):568-81

Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, USA.

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http://dx.doi.org/10.1002/wnan.50DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684197PMC
March 2010

Investigation of Gaussian4 theory for transition metal thermochemistry.

J Phys Chem A 2009 Apr;113(17):5170-5

Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.

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http://dx.doi.org/10.1021/jp809179qDOI Listing
April 2009

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane.

Nat Mater 2009 Mar 8;8(3):213-6. Epub 2009 Feb 8.

Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1038/nmat2384DOI Listing
March 2009

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn.

J Chem Phys 2008 Apr;128(14):144122

Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.

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http://dx.doi.org/10.1063/1.2896084DOI Listing
April 2008

Gaussian-4 theory using reduced order perturbation theory.

J Chem Phys 2007 Sep;127(12):124105

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2770701DOI Listing
September 2007

Gaussian-4 theory.

J Chem Phys 2007 Feb;126(8):084108

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2436888DOI Listing
February 2007

Predicting the shape and structure of face-centered cubic gold nanocrystals smaller than 3 nm.

Chemphyschem 2006 Jul;7(7):1544-53

Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK.

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http://dx.doi.org/10.1002/cphc.200600107DOI Listing
July 2006

Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies.

J Chem Phys 2005 Sep;123(12):124107

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2039080DOI Listing
September 2005

Excited state dynamics and structures of functionalized phthalocyanines. 1. Self-regulated assembly of zinc helicenocyanine.

J Phys Chem B 2005 Sep;109(35):16598-609

Chemistry Division and Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/jp051947wDOI Listing
September 2005