N. Mosey

发表

A generalization of the charge equilibration method for nonmetallic materials.

R. A. Nistor, J. G. Polihronov, M. Müser, 2006, The Journal of chemical physics.

Exact exchange with non-orthogonal generalized Wannier functions.

N. Mosey, Jeff Mountjoy, M. Todd, 2017, The Journal of chemical physics.

Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation.

T. Carrington, S. Manzhos, N. Mosey, 2015, The journal of physical chemistry. A.

Polymer Mechanochemistry

M. Buehler, N. Mosey, M. Serpe, 2015 .

Chemical response of thioaldehydes to compression between magnesium oxide surfaces: A first-principles molecular dynamics study

N. Mosey, Yaoting Zhang, M. Li, 2019, Surface Science.

Amine exchange in formamidines: an experimental and theoretical study.

N. Mosey, A. Petitjean, Li-Juan Xing, 2011, Chemistry.

Stepwise intramolecular photoisomerization of NHC-chelate dimesitylboron compounds with C-C bond formation and C-H bond insertion.

N. Mosey, Yingli Rao, Suning Wang, 2012, Journal of the American Chemical Society.

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.

N. Mosey, R. S. Brown, Christopher I. Maxwell, 2013, Journal of the American Chemical Society.

Exciting clusters, what does off-resonance actually mean?

Kevin G. Stamplecoskie, N. Mosey, S. Ahmadi, 2020, Nanoscale.

N‐Heterocyclic Carbene Self‐assembled Monolayers on Copper and Gold: Dramatic Effect of Wingtip Groups on Binding, Orientation and Assembly

N. Mosey, J. Horton, C. Crudden, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Simple direct formation of self-assembled N-heterocyclic carbene monolayers on gold and their application in biosensing

Olena V. Zenkina, N. Mosey, J. Horton, 2016, Nature Communications.

Contrasting Reactivity of CS2 with Cyclic vs. Acyclic Amidines

N. Mosey, P. Jessop, J. Harjani, 2015 .

Density functional theory study of methoxide promoted and Zn(II)‐complexed methoxide promoted cleavages of aryl‐ and alkyl acetates in methanol. Transition from concerted to stepwise processes as a function of leaving group ability

N. Mosey, R. S. Brown, Christopher I. Maxwell, 2014 .

Methanolysis of thioamide promoted by a simple palladacycle is accelerated by 10(8) over the methoxide-catalyzed reaction.

N. Mosey, R. S. Brown, Christopher I. Maxwell, 2011, Journal of the American Chemical Society.

Cryomilled Ni-Co-Se Enables Water Oxidation Electrocatalysts Durable at High Current Densities

E. Sargent, N. Mosey, D. Sinton, 2020 .

Effects of reduced dimensionality on the properties of magnesium hydroxide and calcium hydroxide nanostructures.

N. Mosey, S. Jahangiri, 2017, Physical chemistry chemical physics : PCCP.

Tuning the mesogenic properties of 5-alkoxy-2-(4-alkoxyphenyl)pyrimidine liquid crystals: the effect of a phenoxy end-group in two sterically equivalent series

N. Mosey, N. Kapernaum, R. Lemieux, 2014 .

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.

N. Mosey, Huan Guo, M. Murugesu, 2015, Dalton transactions.

Mechanism for the formation of gas-phase protonated alcohol-ether adducts by VUV laser ionization and density-functional calculations.

N. Mosey, T. Woo, R. Lipson, 2004, The Journal of chemical physics.

Finite Temperature Structure and Dynamics of Zinc Dialkyldithiophosphate Wear Inhibitors: A Density Functional Theory and ab Initio Molecular Dynamics Study

N. Mosey, T. Woo, 2003 .

Photo- and thermal-induced multistructural transformation of 2-phenylazolyl chelate boron compounds.

N. Mosey, Yingli Rao, Suning Wang, 2013, Journal of the American Chemical Society.

Alkoxyamine-derived formamidines: configurational control and molecular folding.

N. Mosey, A. Petitjean, Ruiyao Wang, 2011, Organic letters.

Compression-induced transformation of aldehydes into polyethers: a first-principles molecular dynamics study.

N. Mosey, 2010, The Journal of chemical physics.

Ultra stable self-assembled monolayers of N-heterocyclic carbenes on gold.

Olena V. Zenkina, N. Mosey, J. Horton, 2014, Nature chemistry.

Synthesis and coordination of a neutral phosphaguanidine and comparison of its basicity with a guanidine

N. Mosey, P. Jessop, L. Laverdure, 2021, Canadian Journal of Chemistry.

Computational Investigation of the Oxygen Evolution Reaction Catalyzed by Nickel (Oxy)hydroxide Complexes

N. Mosey, S. Jahangiri, 2018, The Journal of Physical Chemistry C.

Controlled synthesis and alkaline earth ion binding of switchable formamidoxime-based crown ether analogs.

N. Mosey, A. Petitjean, G. Bhagavathy, 2012, Chemical communications.

Behavior of Two-Dimensional Hydrogen-Bonded Networks under Shear Conditions: A First-Principles Molecular Dynamics Study

N. Mosey, Stephanie A. Whyte, 2015 .

Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates

M. Müser, N. Mosey, Yang Song, 2009 .

Molecular Mechanisms for the Functionality of Lubricant Additives

Tom K Woo, Nicholas J Mosey, M. Müser, 2005, Science.

Remarkably Stable Nickel Hydroxide Nanoparticles for Miniaturized Electrochemical Energy Storage

N. Mosey, A. Mark, G. Botton, 2020 .

Oxidation and Corrosion of Platinum–Nickel and Platinum–Cobalt Nanoparticles in an Aqueous Acidic Medium

N. Mosey, A. Ohma, S. Baranton, 2019, ACS Applied Energy Materials.

Shear strength of chromia across multiple length scales: An LDA + U study

E. Carter, N. Mosey, 2009 .

Ab initio LDA+U prediction of the tensile properties of chromia across multiple length scales

E. Carter, N. Mosey, 2009 .

Spirooxazine to merooxazine interconversion in the presence and absence of zinc: approach to a bistable photochemical switch.

N. Mosey, T. Kraft, Zhiyuan Tian, 2010, The journal of physical chemistry. A.

The mechanism of 1,3-dipolar cycloaddition reactions of cyclopropanes and nitrones A theoretical study

N. Mosey, M. Kerr, T. Woo, 2005 .

Free-energy landscapes of ion movement through a G-quadruplex DNA channel.

N. Mosey, Gang Wu, Parisa Akhshi, 2012, Angewandte Chemie.

Transition from concerted to stepwise processes as a function of leaving group ability: density functional theory and experimental study of lyoxide‐promoted cleavages of phosphorothioate and phosphate triesters in water and methanol

N. Mosey, Christopher I. Maxwell, C. Liu, 2012 .

Aspirin revealed: A cationization strategy for detecting acetylsalicylic acid by MALDI mass spectrometry

N. Mosey, A. Loboda, R. Lipson, 2007 .

A Computational Experiment of the Endo versus Exo Preference in a Diels–Alder Reaction

N. Mosey, C. Rowley, T. Woo, 2009 .

Direct inversion of the iterative subspace with contracted planewave basis functions

Duncan W. Stuart, Nicholas J. Mosey, N. Mosey, 2018, J. Comput. Chem..

Density-functional tight-binding investigation of the structure, stability and material properties of nickel hydroxide nanotubes

N. Mosey, S. Jahangiri, 2018, Nanotechnology.

High pressure chemistry of thioaldehydes: A first-principles molecular dynamics study.

N. Mosey, Yaoting Zhang, 2016, The Journal of chemical physics.

In Situ Formation of Nano Ni–Co Oxyhydroxide Enables Water Oxidation Electrocatalysts Durable at High Current Densities

E. Sargent, N. Mosey, D. Sinton, 2021, Advanced materials.

Ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

Emily A. Carter, Nicholas J. Mosey, E. Carter, 2007 .

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations.

Emily A Carter, Peilin Liao, Nicholas J Mosey, 2008, The Journal of chemical physics.

A quantum chemical study of the unimolecular decomposition mechanisms of zinc dialkyldithiophosphate antiwear additives

N. Mosey, T. Woo, 2004 .

Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking

M. Müser, N. Mosey, G. Bancroft, 2006 .

Insights into the chemical behavior of zinc dialkyldithiophosphate anti-wear additives in their isomeric and decomposed forms through molecular simulation

N. Mosey, T. Woo, 2006 .

An ab initio molecular dynamics and density functional theory study of the formation of phosphate chains from metathiophosphates.

N. Mosey, T. Woo, 2006, Inorganic chemistry.

Study of the adsorption of toluene in zeolite LiNa-Y by solid-state NMR spectroscopy

N. Mosey, Yining Huang, T. Woo, 2007 .

Pseudodiagonalization‐based wavefunction optimization with contracted planewave basis functions

Duncan W Stuart, Nicholas J Mosey, N. Mosey, 2020, J. Comput. Chem..

Mechanistic and computational study of a palladacycle-catalyzed decomposition of a series of neutral phosphorothioate triesters in methanol.

N. Mosey, D. Edwards, R. S. Brown, 2010, Journal of the American Chemical Society.

On the pressure-induced loss of crystallinity in orthophosphates of zinc and calcium.

M. Müser, N. Mosey, Yang Song, 2008, The Journal of chemical physics.

Molecular structure and interactions of water intercalated in nickel hydroxide.

N. Mosey, S. Jahangiri, 2018, Physical chemistry chemical physics : PCCP.

Ab initio molecular dynamics simulations with a HOMO–LUMO gap biasing potential to accelerate rare reaction events

N. Mosey, T. Woo, A. Hu, 2003 .

Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions

N. Mosey, G. Kochhar, 2016, Scientific Reports.

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity.

N. Mosey, G. Heverly-Coulson, G. Kochhar, 2015, Topics in current chemistry.

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.

N. Mosey, A. Bailey, 2012, The Journal of chemical physics.

Experimental and computational determination of Brønsted coefficients for equilibrium transfer of the O,O‐dimethyl phosphorothioyl group between oxyanion nucleophiles

N. Mosey, D. Edwards, R. S. Brown, 2012 .

Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates

M. Müser, N. Mosey, T. Woo, 2005 .

Competition between orbitals and stress in mechanochemistry.

N. Mosey, G. Kochhar, A. Bailey, 2010, Angewandte Chemie.

Photo- and thermal-induced multistructural transformation of 2-phenylazolyl chelate boron compounds.

N. Mosey, Yingli Rao, Suning Wang, 2013, Journal of the American Chemical Society.

Chiral periodic mesoporous organosilicates based on axially chiral monomers: transmission of chirality in the solid state.

N. Mosey, C. Crudden, M. Thompson, 2008, Journal of the American Chemical Society.

Stepwise intramolecular photoisomerization of NHC-chelate dimesitylboron compounds with C-C bond formation and C-H bond insertion.

N. Mosey, Yingli Rao, Suning Wang, 2012, Journal of the American Chemical Society.

Atomistic Modeling of Friction

M. Müser, N. Mosey, 2007 .