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Heliyon
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March 27, 2020
Dynamical properties of organo lead-halide perovskites and their interfaces to titania: insights from Density Functional Theory
Niall J English
The Journal of Chemical Physics
|
December 22, 2014
Massively parallel molecular-dynamics simulation of ice crystallisation and melting: the roles of system size, ensemble, and electrostatics
Niall J English
Nanomaterials (Basel, Switzerland)
|
July 12, 2025
Electric-Field Nanobubble-Enhanced Progress in Anaerobic Digestion Unit Operations: Biogas Upgrading and Up- and Down-Stream Water and Sludge Treatment Operations
Niall J English
Journal of Molecular Modeling
|
August 11, 2007
Calculation of binding affinities of HIV-1 RT and beta-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approaches
Niall J English
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 5, 2010
First-principles calculation of electronic structure of V-doped anatase TiO2
Run Long, Niall J English
The Journal of Chemical Physics
|
December 3, 2016
Oscillating electric-field effects on adsorbed-water at rutile- and anatase-TiO<sub>2</sub> surfaces
Zdenek Futera, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2021
Dielectric properties of ice VII under the influence of time-alternating external electric fields
Zdenek Futera, Niall J English
The Journal of Physical Chemistry Letters
|
July 16, 2021
Water Breakup at Fe<sub>2</sub>O<sub>3</sub>-Hematite/Water Interfaces: Influence of External Electric Fields from Nonequilibrium <i>Ab Initio</i> Molecular Dynamics
Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
June 6, 2018
Pressure dependence of structural properties of ice VII: An ab initio molecular-dynamics study
Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
March 15, 2022
Self-ordering water molecules at TiO<sub>2</sub> interfaces: Advances in structural classification
Dáire O'Carroll, Niall J English
Page
of 13
Search research articles
Search
Showing results (1-10 of 130) with videos related to
Sort By:
Page
of 13
Heliyon
|
March 27, 2020
Dynamical properties of organo lead-halide perovskites and their interfaces to titania: insights from Density Functional Theory
Niall J English
The Journal of Chemical Physics
|
December 22, 2014
Massively parallel molecular-dynamics simulation of ice crystallisation and melting: the roles of system size, ensemble, and electrostatics
Niall J English
Nanomaterials (Basel, Switzerland)
|
July 12, 2025
Electric-Field Nanobubble-Enhanced Progress in Anaerobic Digestion Unit Operations: Biogas Upgrading and Up- and Down-Stream Water and Sludge Treatment Operations
Niall J English
Journal of Molecular Modeling
|
August 11, 2007
Calculation of binding affinities of HIV-1 RT and beta-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approaches
Niall J English
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 5, 2010
First-principles calculation of electronic structure of V-doped anatase TiO2
Run Long, Niall J English
The Journal of Chemical Physics
|
December 3, 2016
Oscillating electric-field effects on adsorbed-water at rutile- and anatase-TiO<sub>2</sub> surfaces
Zdenek Futera, Niall J English
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2021
Dielectric properties of ice VII under the influence of time-alternating external electric fields
Zdenek Futera, Niall J English
The Journal of Physical Chemistry Letters
|
July 16, 2021
Water Breakup at Fe<sub>2</sub>O<sub>3</sub>-Hematite/Water Interfaces: Influence of External Electric Fields from Nonequilibrium <i>Ab Initio</i> Molecular Dynamics
Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
June 6, 2018
Pressure dependence of structural properties of ice VII: An ab initio molecular-dynamics study
Zdenek Futera, Niall J English
The Journal of Chemical Physics
|
March 15, 2022
Self-ordering water molecules at TiO<sub>2</sub> interfaces: Advances in structural classification
Dáire O'Carroll, Niall J English
Page
of 13