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Items: 1 to 50 of 58

1.

Importance of proton-coupled electron transfer in cathodic regeneration of organic hydrides.

Ilic S, Alherz A, Musgrave CB, Glusac KD.

Chem Commun (Camb). 2019 May 9;55(39):5583-5586. doi: 10.1039/c9cc00928k.

PMID:
31020295
2.

High-Throughput Equilibrium Analysis of Active Materials for Solar Thermochemical Ammonia Synthesis.

Bartel CJ, Rumptz JR, Weimer AW, Holder AM, Musgrave CB.

ACS Appl Mater Interfaces. 2019 Mar 28. doi: 10.1021/acsami.9b01242. [Epub ahead of print]

PMID:
30920791
3.

Rational Design of Efficient Amine Reductant Initiators for Amine-Peroxide Redox Polymerization.

Kim K, Singstock NR, Childress KK, Sinha J, Salazar AM, Whitfield SN, Holder AM, Stansbury JW, Musgrave CB.

J Am Chem Soc. 2019 Apr 17;141(15):6279-6291. doi: 10.1021/jacs.8b13679. Epub 2019 Apr 8.

PMID:
30915845
4.

New tolerance factor to predict the stability of perovskite oxides and halides.

Bartel CJ, Sutton C, Goldsmith BR, Ouyang R, Musgrave CB, Ghiringhelli LM, Scheffler M.

Sci Adv. 2019 Feb 8;5(2):eaav0693. doi: 10.1126/sciadv.aav0693. eCollection 2019 Feb.

5.

Benzimidazoles as Metal-Free and Recyclable Hydrides for CO2 Reduction to Formate.

Lim CH, Ilic S, Alherz A, Worrell BT, Bacon SS, Hynes JT, Glusac KD, Musgrave CB.

J Am Chem Soc. 2019 Jan 9;141(1):272-280. doi: 10.1021/jacs.8b09653. Epub 2018 Dec 10.

PMID:
30477302
6.

Dynamic and Responsive DNA-like Polymers.

Mavila S, Worrell BT, Culver HR, Goldman TM, Wang C, Lim CH, Domaille DW, Pattanayak S, McBride MK, Musgrave CB, Bowman CN.

J Am Chem Soc. 2018 Oct 24;140(42):13594-13598. doi: 10.1021/jacs.8b09105. Epub 2018 Oct 12.

PMID:
30351134
7.

Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry.

Bartel CJ, Millican SL, Deml AM, Rumptz JR, Tumas W, Weimer AW, Lany S, Stevanović V, Musgrave CB, Holder AM.

Nat Commun. 2018 Oct 9;9(1):4168. doi: 10.1038/s41467-018-06682-4.

8.

Renewable Hydride Donors for the Catalytic Reduction of CO2: A Thermodynamic and Kinetic Study.

Alherz A, Lim CH, Kuo YC, Lehman P, Cha J, Hynes JT, Musgrave CB.

J Phys Chem B. 2018 Nov 8;122(44):10179-10189. doi: 10.1021/acs.jpcb.8b08536. Epub 2018 Oct 30.

PMID:
30290115
9.

Publisher Correction: Bistable and photoswitchable states of matter.

Worrell BT, McBride MK, Lyon GB, Cox LM, Wang C, Mavila S, Lim CH, Coley HM, Musgrave CB, Ding Y, Bowman CN.

Nat Commun. 2018 Aug 7;9(1):3204. doi: 10.1038/s41467-018-05789-y.

10.

Bistable and photoswitchable states of matter.

Worrell BT, McBride MK, Lyon GB, Cox LM, Wang C, Mavila S, Lim CH, Coley HM, Musgrave CB, Ding Y, Bowman CN.

Nat Commun. 2018 Jul 18;9(1):2804. doi: 10.1038/s41467-018-05300-7. Erratum in: Nat Commun. 2018 Aug 7;9(1):3204.

11.

Thermodynamic and kinetic hydricities of metal-free hydrides.

Ilic S, Alherz A, Musgrave CB, Glusac KD.

Chem Soc Rev. 2018 Apr 23;47(8):2809-2836. doi: 10.1039/C7CS00171A. Review.

PMID:
29543931
12.

Amine Induced Retardation of the Radical-Mediated Thiol-Ene Reaction via the Formation of Metastable Disulfide Radical Anions.

Love DM, Kim K, Goodrich JT, Fairbanks BD, Worrell BT, Stoykovich MP, Musgrave CB, Bowman CN.

J Org Chem. 2018 Mar 2;83(5):2912-2919. doi: 10.1021/acs.joc.8b00143. Epub 2018 Feb 9.

PMID:
29390175
13.

Predicting Hydride Donor Strength via Quantum Chemical Calculations of Hydride Transfer Activation Free Energy.

Alherz A, Lim CH, Hynes JT, Musgrave CB.

J Phys Chem B. 2018 Jan 25;122(3):1278-1288. doi: 10.1021/acs.jpcb.7b12093. Epub 2018 Jan 5.

PMID:
29251933
14.

Solvent Effects on the Intramolecular Charge Transfer Character of N,N-Diaryl Dihydrophenazine Catalysts for Organocatalyzed Atom Transfer Radical Polymerization.

Ryan MD, Theriot JC, Lim CH, Yang H, Lockwood A, Garrison NG, Lincoln SR, Musgrave CB, Miyake GM.

J Polym Sci A Polym Chem. 2017 Sep 15;55(18):3017-3027. doi: 10.1002/pola.28574. Epub 2017 Mar 16.

15.

Dihydropteridine/Pteridine as a 2H+/2e- Redox Mediator for the Reduction of CO2 to Methanol: A Computational Study.

Lim CH, Holder AM, Hynes JT, Musgrave CB.

J Phys Chem B. 2017 Apr 27;121(16):4158-4167. doi: 10.1021/acs.jpcb.7b01224. Epub 2017 Apr 18.

PMID:
28375636
16.

Adatom surface diffusion of catalytic metals on the anatase TiO2(101) surface.

Alghannam A, Muhich CL, Musgrave CB.

Phys Chem Chem Phys. 2017 Feb 8;19(6):4541-4552. doi: 10.1039/c6cp08789b.

PMID:
28124047
17.

Intramolecular Charge Transfer and Ion Pairing in N,N-Diaryl Dihydrophenazine Photoredox Catalysts for Efficient Organocatalyzed Atom Transfer Radical Polymerization.

Lim CH, Ryan MD, McCarthy BG, Theriot JC, Sartor SM, Damrauer NH, Musgrave CB, Miyake GM.

J Am Chem Soc. 2017 Jan 11;139(1):348-355. doi: 10.1021/jacs.6b11022. Epub 2016 Dec 27.

18.

Degradation of Ethylene Carbonate Electrolytes of Lithium Ion Batteries via Ring Opening Activated by LiCoO2 Cathode Surfaces and Electrolyte Species.

Tebbe JL, Fuerst TF, Musgrave CB.

ACS Appl Mater Interfaces. 2016 Oct 12;8(40):26664-26674. Epub 2016 Sep 27.

PMID:
27610630
19.

Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.

Pearson RM, Lim CH, McCarthy BG, Musgrave CB, Miyake GM.

J Am Chem Soc. 2016 Sep 7;138(35):11399-407. doi: 10.1021/jacs.6b08068. Epub 2016 Aug 24.

20.

Rapid Growth of Crystalline Mn5O8 by Self-Limited Multilayer Deposition using Mn(EtCp)2 and O3.

Young MJ, Hare CD, Cavanagh AS, Musgrave CB, George SM.

ACS Appl Mater Interfaces. 2016 Jul 20;8(28):18560-9. doi: 10.1021/acsami.6b04529. Epub 2016 Jul 11.

PMID:
27351207
21.

Aluminum Nitride Hydrolysis Enabled by Hydroxyl-Mediated Surface Proton Hopping.

Bartel CJ, Muhich CL, Weimer AW, Musgrave CB.

ACS Appl Mater Interfaces. 2016 Jul 20;8(28):18550-9. doi: 10.1021/acsami.6b04375. Epub 2016 Jul 7.

PMID:
27341277
22.

Organocatalyzed atom transfer radical polymerization driven by visible light.

Theriot JC, Lim CH, Yang H, Ryan MD, Musgrave CB, Miyake GM.

Science. 2016 May 27;352(6289):1082-6. doi: 10.1126/science.aaf3935. Epub 2016 Mar 31.

23.

Catalytic Reduction of CO2 by Renewable Organohydrides.

Lim CH, Holder AM, Hynes JT, Musgrave CB.

J Phys Chem Lett. 2015 Dec 17;6(24):5078-92. doi: 10.1021/acs.jpclett.5b01827. Epub 2015 Dec 10.

PMID:
26722706
24.

Mechanisms of LiCoO2 Cathode Degradation by Reaction with HF and Protection by Thin Oxide Coatings.

Tebbe JL, Holder AM, Musgrave CB.

ACS Appl Mater Interfaces. 2015 Nov 4;7(43):24265-78. doi: 10.1021/acsami.5b07887. Epub 2015 Oct 22.

PMID:
26455367
25.

Intrinsic Material Properties Dictating Oxygen Vacancy Formation Energetics in Metal Oxides.

Deml AM, Holder AM, O'Hayre RP, Musgrave CB, Stevanović V.

J Phys Chem Lett. 2015 May 21;6(10):1948-53. doi: 10.1021/acs.jpclett.5b00710. Epub 2015 May 11.

PMID:
26263275
26.

Solvent Control of Surface Plasmon-Mediated Chemical Deposition of Au Nanoparticles from Alkylgold Phosphine Complexes.

Muhich CL, Qiu J, Holder AM, Wu YC, Weimer AW, Wei WD, McElwee-White L, Musgrave CB.

ACS Appl Mater Interfaces. 2015 Jun 24;7(24):13384-94. doi: 10.1021/acsami.5b01918. Epub 2015 Jun 15.

PMID:
26036274
27.

Growth and Characterization of Al2O3 Atomic Layer Deposition Films on sp(2)-Graphitic Carbon Substrates Using NO2/Trimethylaluminum Pretreatment.

Young MJ, Musgrave CB, George SM.

ACS Appl Mater Interfaces. 2015 Jun 10;7(22):12030-7. doi: 10.1021/acsami.5b02167. Epub 2015 May 28.

PMID:
25965097
28.

Reduction of CO2 to methanol catalyzed by a biomimetic organo-hydride produced from pyridine.

Lim CH, Holder AM, Hynes JT, Musgrave CB.

J Am Chem Soc. 2014 Nov 12;136(45):16081-95. doi: 10.1021/ja510131a. Epub 2014 Nov 4.

PMID:
25323134
29.

Visible-light organic photocatalysis for latent radical-initiated polymerization via 2e⁻/1H⁺ transfers: initiation with parallels to photosynthesis.

Aguirre-Soto A, Lim CH, Hwang AT, Musgrave CB, Stansbury JW.

J Am Chem Soc. 2014 May 21;136(20):7418-27. doi: 10.1021/ja502441d. Epub 2014 May 8.

30.

Mechanistic basis for high stereoselectivity and broad substrate scope in the (salen)Co(III)-catalyzed hydrolytic kinetic resolution.

Ford DD, Nielsen LP, Zuend SJ, Musgrave CB, Jacobsen EN.

J Am Chem Soc. 2013 Oct 16;135(41):15595-608. doi: 10.1021/ja408027p. Epub 2013 Oct 7.

31.

Bulk and surface tunneling hydrogen defects in alumina.

Holder AM, Osborn KD, Lobb CJ, Musgrave CB.

Phys Rev Lett. 2013 Aug 9;111(6):065901. Epub 2013 Aug 8.

PMID:
23971589
32.

Roles of the Lewis acid and base in the chemical reduction of CO2 catalyzed by frustrated Lewis pairs.

Lim CH, Holder AM, Hynes JT, Musgrave CB.

Inorg Chem. 2013 Sep 3;52(17):10062-6. doi: 10.1021/ic4013729. Epub 2013 Aug 13.

PMID:
23941178
33.

Efficient generation of H2 by splitting water with an isothermal redox cycle.

Muhich CL, Evanko BW, Weston KC, Lichty P, Liang X, Martinek J, Musgrave CB, Weimer AW.

Science. 2013 Aug 2;341(6145):540-2. doi: 10.1126/science.1239454.

34.

A correlated electron view of singlet fission.

Zimmerman PM, Musgrave CB, Head-Gordon M.

Acc Chem Res. 2013 Jun 18;46(6):1339-47. doi: 10.1021/ar3001734. Epub 2013 Feb 21.

PMID:
23427823
35.

Mechanism of homogeneous reduction of CO2 by pyridine: proton relay in aqueous solvent and aromatic stabilization.

Lim CH, Holder AM, Musgrave CB.

J Am Chem Soc. 2013 Jan 9;135(1):142-54. doi: 10.1021/ja3064809. Epub 2012 Dec 21.

PMID:
23214714
36.

Simultaneous two-hydrogen transfer as a mechanism for efficient CO(2) reduction.

Zimmerman PM, Zhang Z, Musgrave CB.

Inorg Chem. 2010 Oct 4;49(19):8724-8. doi: 10.1021/ic100454z.

PMID:
20804148
37.

Singlet fission in pentacene through multi-exciton quantum states.

Zimmerman PM, Zhang Z, Musgrave CB.

Nat Chem. 2010 Aug;2(8):648-52. doi: 10.1038/nchem.694. Epub 2010 Jun 20.

PMID:
20651727
38.

Reaction mechanism, bonding, and thermal stability of 1-alkanethiols self-assembled on halogenated Ge surfaces.

Ardalan P, Sun Y, Pianetta P, Musgrave CB, Bent SF.

Langmuir. 2010 Jun 1;26(11):8419-29. doi: 10.1021/la904864c.

PMID:
20433151
39.

Excited states of methylene from quantum Monte Carlo.

Zimmerman PM, Toulouse J, Zhang Z, Musgrave CB, Umrigar CJ.

J Chem Phys. 2009 Sep 28;131(12):124103. doi: 10.1063/1.3220671.

PMID:
19791848
40.

Catalytic dehydrogenation of ammonia borane at Ni monocarbene and dicarbene catalysts.

Zimmerman PM, Paul A, Musgrave CB.

Inorg Chem. 2009 Jun 15;48(12):5418-33. doi: 10.1021/ic900417z.

PMID:
19456138
41.

The role of free N-heterocyclic carbene (NHC) in the catalytic dehydrogenation of ammonia-borane in the nickel NHC system.

Zimmerman PM, Paul A, Zhang Z, Musgrave CB.

Angew Chem Int Ed Engl. 2009;48(12):2201-5. doi: 10.1002/anie.200803211.

PMID:
19204967
42.

Formation of alkanethiolate self-assembled monolayers at halide-terminated Ge surfaces.

Ardalan P, Musgrave CB, Bent SF.

Langmuir. 2009 Feb 17;25(4):2013-25. doi: 10.1021/la803468e.

PMID:
19152272
43.

Oligomerization and autocatalysis of NH2BH2 with ammonia-borane.

Zimmerman PM, Paul A, Zhang Z, Musgrave CB.

Inorg Chem. 2009 Feb 2;48(3):1069-81. doi: 10.1021/ic801731s.

PMID:
19125668
44.

A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces.

Mui C, Bent SF, Musgrave CB.

J Phys Chem B. 2004 May 20;108(20):6336-50. doi: 10.1021/jp037948a.

PMID:
18950120
45.

Atomic layer deposition of hafnium oxide from hafnium chloride and water.

Mukhopadhyay AB, Musgrave CB, Fdez Sanz J.

J Am Chem Soc. 2008 Sep 10;130(36):11996-2006. doi: 10.1021/ja801616u. Epub 2008 Aug 13.

PMID:
18698777
46.

Adsorption of organic matter at mineral/water interfaces: 7. ATR-FTIR and quantum chemical study of lactate interactions with hematite nanoparticles.

Ha J, Hyun Yoon T, Wang Y, Musgrave CB, Brown GE Jr.

Langmuir. 2008 Jun 1;24(13):6683-92. doi: 10.1021/la800122v. Epub 2008 Jun 4.

PMID:
18522441
47.

Catalyzed dehydrogenation of ammonia-borane by iridium dihydrogen pincer complex differs from ethane dehydrogenation.

Paul A, Musgrave CB.

Angew Chem Int Ed Engl. 2007;46(43):8153-6. No abstract available.

PMID:
17886331
48.

Comparison of DFT methods for molecular orbital eigenvalue calculations.

Zhang G, Musgrave CB.

J Phys Chem A. 2007 Mar 1;111(8):1554-61. Epub 2007 Feb 6.

PMID:
17279730
49.

Density functional theory study of the geometry, energetics, and reconstruction process of Si111 surfaces.

Solares SD, Dasgupta S, Schultz PA, Kim YH, Musgrave CB, Goddard WA 3rd.

Langmuir. 2005 Dec 20;21(26):12404-14.

PMID:
16343021
50.

Initial nitridation of the Ge(100)-2 x 1 surface by ammonia.

Mui C, Musgrave CB.

Langmuir. 2005 May 24;21(11):5230-2.

PMID:
15896076

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