Publications by authors named "Nicholas Mosey"

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In Situ Formation of Nano Ni-Co Oxyhydroxide Enables Water Oxidation Electrocatalysts Durable at High Current Densities.
Jehad Abed, Shideh Ahmadi, Laura Laverdure, Ahmed Abdellah, Colin P O'Brien, Nicholas J Mosey

Adv Mater· November 2021

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Exciting clusters, what does off-resonance actually mean?
Goonay Yousefalizadeh, Shideh Ahmadi, Nicholas J Mosey, Kevin G Stamplecoskie

Nanoscale· January 2021

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Pseudodiagonalization-based wavefunction optimization with contracted planewave basis functions.
Duncan W Stuart, Nicholas J Mosey

J Comput Chem· January 2020

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Direct inversion of the iterative subspace with contracted planewave basis functions.
Duncan W Stuart, Nicholas J Mosey

J Comput Chem· September 2018

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Molecular structure and interactions of water intercalated in nickel hydroxide.
Soran Jahangiri, Nicholas J Mosey

Phys Chem Chem Phys· April 2018

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Density-functional tight-binding investigation of the structure, stability and material properties of nickel hydroxide nanotubes.
Soran Jahangiri, Nicholas J Mosey

Nanotechnology· January 2018

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N-Heterocyclic Carbene Self-assembled Monolayers on Copper and Gold: Dramatic Effect of Wingtip Groups on Binding, Orientation and Assembly.
Christian R Larrea, Christopher J Baddeley, Mina R Narouz, Nicholas J Mosey, J Hugh Horton

Chemphyschem· December 2017

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Exact exchange with non-orthogonal generalized Wannier functions.
Jeff Mountjoy, Michelle Todd, Nicholas J Mosey

J Chem Phys· March 2017

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Effects of reduced dimensionality on the properties of magnesium hydroxide and calcium hydroxide nanostructures.
Soran Jahangiri, Nicholas J Mosey

Phys Chem Chem Phys· January 2017

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High pressure chemistry of thioaldehydes: A first-principles molecular dynamics study.
Yaoting Zhang, Nicholas J Mosey

J Chem Phys· November 2016

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Simple direct formation of self-assembled N-heterocyclic carbene monolayers on gold and their application in biosensing.
Cathleen M Crudden, J Hugh Horton, Mina R Narouz, Zhijun Li, Christene A Smith, Nicholas J Mosey

Nat Commun· September 2016

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Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions.
Gurpaul S Kochhar, Nicholas J Mosey

Sci Rep· March 2016

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Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity.
Gurpaul S Kochhar, Gavin S Heverly-Coulson, Nicholas J Mosey

Top Curr Chem· February 2016

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Systematic study of the synthesis and coordination of 2-(1,2,3-triazol-4-yl)-pyridine to Fe(II), Ni(II) and Zn(II); ion-induced folding into helicates, mesocates and larger architectures, and application to magnetism and self-selection.
Nan Wu, Caroline F C Melan, Kristina A Stevenson, Olivier Fleischel, Huan Guo, Nicholas J Mosey

Dalton Trans· September 2015

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Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation.
Sergei Manzhos, Tucker Carrington, Laura Laverdure, Nicholas Mosey

J Phys Chem A· September 2015

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Tuning the mesomorphic properties of phenoxy-terminated smectic liquid crystals: the effect of fluoro substitution.
Matthew Thompson, Carolyn Carkner, Nicholas J Mosey, Nadia Kapernaum, Robert P Lemieux

Soft Matter· May 2015

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Ultra stable self-assembled monolayers of N-heterocyclic carbenes on gold.
Cathleen M Crudden, J Hugh Horton, Iraklii I Ebralidze, Olena V Zenkina, Alastair B McLean, Nicholas J Mosey

Nat Chem· May 2014

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DFT computational study of the methanolytic cleavage of DNA and RNA phosphodiester models promoted by the dinuclear Zn(II) complex of 1,3-bis(1,5,9-triazacyclododec-1-yl)propane.
Christopher I Maxwell, Nicholas J Mosey, R Stan Brown

J Am Chem Soc· November 2013

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Photo- and thermal-induced multistructural transformation of 2-phenylazolyl chelate boron compounds.
Ying-Li Rao, Hazem Amarne, Leanne D Chen, Matthew L Brown, Nicholas J Mosey

J Am Chem Soc· March 2013

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Controlled synthesis and alkaline earth ion binding of switchable formamidoxime-based crown ether analogs.
Yi Yan, Weiwen Zhao, Ganga Viswanathan Bhagavathy, Alexandre Faurie, Nicholas J Mosey

Chem Commun (Camb)· August 2012

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Stepwise intramolecular photoisomerization of NHC-chelate dimesitylboron compounds with C-C bond formation and C-H bond insertion.
Ying-Li Rao, Leanne D Chen, Nicholas J Mosey, Suning Wang

J Am Chem Soc· July 2012

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Free-energy landscapes of ion movement through a G-quadruplex DNA channel.
Parisa Akhshi, Nicholas J Mosey, Gang Wu

Angew Chem Int Ed Engl· March 2012

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Prediction of reaction barriers and force-induced instabilities under mechanochemical conditions with an approximate model: a case study of the ring opening of 1,3-cyclohexadiene.
Adrian Bailey, Nicholas J Mosey

J Chem Phys· January 2012

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Methanolysis of thioamide promoted by a simple palladacycle is accelerated by 10(8) over the methoxide-catalyzed reaction.
C Tony Liu, Christopher I Maxwell, Stephanie G Pipe, Alexei A Neverov, Nicholas J Mosey

J Am Chem Soc· December 2011

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The tensile strengths of heterogeneous interfaces: a comparison of static and dynamic first-principles calculations.
Hongjuan Zhu, Nicholas J Mosey

J Chem Phys· December 2011

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