List of works - Neil J Henson

A Porous Metal−Organic Replica of α-PbO2for Capture of Nerve Agent Surrogate

scientific article published on 07 December 2010

A mechanism for the decomposition of dinitropropyl compounds

scientific article

Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species

scientific article

Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides

scientific article published on 22 June 2010

Electric double-layer structure in primitive model electrolytes: comparing molecular dynamics with local-density approximations.

scientific article published on 10 March 2015

Electro-reduction of nitrogen on molybdenum nitride: structure, energetics, and vibrational spectra from DFT.

scientific article published on 7 January 2014

First-principles prediction of the effects of temperature and solvent selection on the dimerization of benzoic acid.

scientific article published on 14 January 2013

ForceFit: a code to fit classical force fields to quantum mechanical potential energy surfaces.

scientific article published in September 2010

Importance of out-of-state spin-orbit coupling for slow magnetic relaxation in mononuclear Fe(II) complexes

scientific article published on 15 September 2011

In situ X-ray pair distribution function analysis of geopolymer gel nanostructure formation kinetics

scientific article published on 28 February 2013

Investigation of formally zerovalent Triphos iron complexes

scientific article published on 24 July 2012

Iron Complex-Catalyzed Ammonia–Borane Dehydrogenation. A Potential Route toward B–N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts

article

Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.

scientific article published in April 2009

Model-free test of local-density mean-field behavior in electric double layers.

scientific article

Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.

scientific article published on 25 April 2016

Unravelling the mechanism of the asymmetric hydrogenation of acetophenone by [RuX2(diphosphine)(1,2-diamine)] catalysts.

scientific article

List of works by Neil J Henson

A Porous Metal−Organic Replica of α-PbO2for Capture of Nerve Agent Surrogate

A mechanism for the decomposition of dinitropropyl compounds

Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species

Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides

Electric double-layer structure in primitive model electrolytes: comparing molecular dynamics with local-density approximations.

Electro-reduction of nitrogen on molybdenum nitride: structure, energetics, and vibrational spectra from DFT.

First-principles prediction of the effects of temperature and solvent selection on the dimerization of benzoic acid.

ForceFit: a code to fit classical force fields to quantum mechanical potential energy surfaces.

Importance of out-of-state spin-orbit coupling for slow magnetic relaxation in mononuclear Fe(II) complexes

In situ X-ray pair distribution function analysis of geopolymer gel nanostructure formation kinetics

Investigation of formally zerovalent Triphos iron complexes

Iron Complex-Catalyzed Ammonia–Borane Dehydrogenation. A Potential Route toward B–N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts

Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.

Model-free test of local-density mean-field behavior in electric double layers.

Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.

Unravelling the mechanism of the asymmetric hydrogenation of acetophenone by [RuX2(diphosphine)(1,2-diamine)] catalysts.