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Items: 1 to 20 of 528

1.

Predicting glycosaminoglycan surface protein interactions and implications for studying axonal growth.

Griffith AR, Rogers CJ, Miller GM, Abrol R, Hsieh-Wilson LC, Goddard WA 3rd.

Proc Natl Acad Sci U S A. 2017 Dec 11. pii: 201715093. doi: 10.1073/pnas.1715093115. [Epub ahead of print]

PMID:
29229841
2.

Extension of the Polarizable Charge Equilibration Model to Higher Oxidation States with Applications to Ge, As, Se, Br, Sn, Sb, Te, I, Pb, Bi, Po, and At Elements.

Oppenheim JJ, Naserifar S, Goddard WA.

J Phys Chem A. 2017 Nov 28. doi: 10.1021/acs.jpca.7b06612. [Epub ahead of print]

PMID:
29182281
3.

A rapid-response ultrasensitive biosensor for influenza virus detection using antibody modified boron-doped diamond.

Nidzworski D, Siuzdak K, Niedziałkowski P, Bogdanowicz R, Sobaszek M, Ryl J, Weiher P, Sawczak M, Wnuk E, Goddard WA 3rd, Jaramillo-Botero A, Ossowski T.

Sci Rep. 2017 Nov 16;7(1):15707. doi: 10.1038/s41598-017-15806-7.

4.

Micro- and Macromechanical Properties of Thermoelectric Lead Chalcogenides.

Li G, Aydemir U, Duan B, Agne MT, Wang H, Wood M, Zhang Q, Zhai P, Goddard WA 3rd, Snyder GJ.

ACS Appl Mater Interfaces. 2017 Nov 22;9(46):40488-40496. doi: 10.1021/acsami.7b15651. Epub 2017 Nov 13.

PMID:
29098851
5.

Ultrahigh Mass Activity for Carbon Dioxide Reduction Enabled by Gold-Iron Core-Shell Nanoparticles.

Sun K, Cheng T, Wu L, Hu Y, Zhou J, Maclennan A, Jiang Z, Gao Y, Goddard WA 3rd, Wang Z.

J Am Chem Soc. 2017 Nov 8;139(44):15608-15611. doi: 10.1021/jacs.7b09251. Epub 2017 Oct 11.

PMID:
28990777
6.

Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods.

Dong SS, Goddard WA 3rd, Abrol R.

Methods Cell Biol. 2017;142:173-186. doi: 10.1016/bs.mcb.2017.07.009. Epub 2017 Sep 11.

PMID:
28964335
7.

Superstrengthening Bi_{2}Te_{3} through Nanotwinning.

Li G, Aydemir U, Morozov SI, Wood M, An Q, Zhai P, Zhang Q, Goddard WA, Snyder GJ.

Phys Rev Lett. 2017 Aug 25;119(8):085501. doi: 10.1103/PhysRevLett.119.085501. Epub 2017 Aug 25.

PMID:
28952748
8.

The mechanism for catalytic hydrosilylation by bis(imino)pyridine iron olefin complexes supported by broken symmetry density functional theory.

Lam YC, Nielsen RJ, Goddard WA, Dash AK.

Dalton Trans. 2017 Sep 26;46(37):12507-12515. doi: 10.1039/c7dt02300f.

PMID:
28901363
9.

Role of Ligand Protonation in Dihydrogen Evolution from a Pentamethylcyclopentadienyl Rhodium Catalyst.

Johnson SI, Gray HB, Blakemore JD, Goddard WA 3rd.

Inorg Chem. 2017 Sep 18;56(18):11375-11386. doi: 10.1021/acs.inorgchem.7b01698. Epub 2017 Sep 1.

PMID:
28862433
10.

Nature of the Active Sites for CO Reduction on Copper Nanoparticles; Suggestions for Optimizing Performance.

Cheng T, Xiao H, Goddard WA.

J Am Chem Soc. 2017 Aug 30;139(34):11642-11645. doi: 10.1021/jacs.7b03300. Epub 2017 Aug 18.

PMID:
28810738
11.

Mechanical-Bond-Protected, Air-Stable Radicals.

Sun J, Liu Z, Liu WG, Wu Y, Wang Y, Barnes JC, Hermann KR, Goddard WA 3rd, Wasielewski MR, Stoddart JF.

J Am Chem Soc. 2017 Sep 13;139(36):12704-12709. doi: 10.1021/jacs.7b06857. Epub 2017 Sep 1.

PMID:
28806074
12.

Predicted Structures of the Active Sites Responsible for the Improved Reduction of Carbon Dioxide by Gold Nanoparticles.

Cheng T, Huang Y, Xiao H, Goddard WA 3rd.

J Phys Chem Lett. 2017 Jul 20;8(14):3317-3320. doi: 10.1021/acs.jpclett.7b01335. Epub 2017 Jul 7.

PMID:
28675927
13.

Subsurface oxide plays a critical role in CO2 activation by Cu(111) surfaces to form chemisorbed CO2, the first step in reduction of CO2.

Favaro M, Xiao H, Cheng T, Goddard WA 3rd, Yano J, Crumlin EJ.

Proc Natl Acad Sci U S A. 2017 Jun 27;114(26):6706-6711. doi: 10.1073/pnas.1701405114. Epub 2017 Jun 12.

14.

Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2.

Xiao H, Goddard WA 3rd, Cheng T, Liu Y.

Proc Natl Acad Sci U S A. 2017 Jun 27;114(26):6685-6688. doi: 10.1073/pnas.1702405114. Epub 2017 Jun 12.

15.

Erratum: New Ground-State Crystal Structure of Elemental Boron [Phys. Rev. Lett. 117, 085501 (2016)].

An Q, Madhav Reddy K, Xie KY, Hemker KJ, Goddard WA.

Phys Rev Lett. 2017 Apr 14;118(15):159902. doi: 10.1103/PhysRevLett.118.159902. Epub 2017 Apr 12.

PMID:
28452528
16.

Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids.

Naserifar S, Brooks DJ, Goddard WA 3rd, Cvicek V.

J Chem Phys. 2017 Mar 28;146(12):124117. doi: 10.1063/1.4978891.

PMID:
28388118
17.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry.

Sundararaman R, Goddard WA 3rd, Arias TA.

J Chem Phys. 2017 Mar 21;146(11):114104. doi: 10.1063/1.4978411.

PMID:
28330356
18.

Experimental and Ab Initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles.

Brown AM, Sundararaman R, Narang P, Schwartzberg AM, Goddard WA, Atwater HA.

Phys Rev Lett. 2017 Feb 24;118(8):087401. doi: 10.1103/PhysRevLett.118.087401. Epub 2017 Feb 21.

19.

An et al. Reply.

An Q, Reddy KM, Xie KY, Hemker KJ, Goddard WA.

Phys Rev Lett. 2017 Feb 24;118(8):089602. doi: 10.1103/PhysRevLett.118.089602. Epub 2017 Feb 22. No abstract available.

PMID:
28282183
20.

Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists.

Kim SK, Chen Y, Abrol R, Goddard WA 3rd, Guthrie B.

Proc Natl Acad Sci U S A. 2017 Mar 7;114(10):2568-2573. doi: 10.1073/pnas.1700001114. Epub 2017 Feb 22.

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