J. M. D. MacElroy - Publications, H-index & Citations

J. M. D. MacElroy

university college dublin

29H指数

118论文数

2.8K被引数

收录论文 28

发表时间

Silicon-bridged triphenylamine-based organic dyes for efficient dye-sensitised solar cells

SOLAR ENERGY

IF6.6

2018-01-01

PREAI

Lyons, Ciaran; Dev, Pratibha; Maji, Pathik; Rathi, Neelima; Surolia, Praveen K.; Byrne, Owen; Xiao, Xinxin; English, Niall J.; Magner, Edmond; MacElroy, J. M. D.; Thampi, K. Ravindranathan

Experimental and modelling studies of CO2/N2 mixture separations using amine functionalised silicas

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

IF3.1

2017-06-26

PREAI

Tsalaporta, E.; Brady, N.; MacElroy, J. M. D.

Exploring Promising Catalysts for Chemical Hydrogen Storage in Ammonia Borane: A Density Functional Theory Study

CATALYSTS

IF4

2017-05-05

OAAI

Bandaru, Sateesh; English, Niall J.; Phillips, Andrew D.; MacElroy, J. M. Don

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

CHEMICAL ENGINEERING SCIENCE

IF4.3

2015-01-01

181

PREAI

English, Niall J.; MacElroy, J. M. D.

Routes to visible light active C-doped TiO2 photocatalysts using carbon atoms from the Ti precursors

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2014-09-01

OAAI

Sullivan, James A.; Neville, Elaine M.; Herron, Rory; Thampi, K. Ravindranathan; MacElroy, J. M. Donal

Perspectives on atmospheric CO2 fixation in inorganic and biomimetic structures

COORDINATION CHEMISTRY REVIEWS

IF23.5

2014-06-01

PREAI

English, Niall J.; El-Hendawy, Morad M.; Mooney, Damian A.; MacElroy, J. M. D.

Towards the Design of Novel Boron- and NitrogenSubstituted Ammonia- Borane and Bifunctional Arene Ruthenium Catalysts for Hydrogen Storage

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2014-02-05

OAAI

Bandaru, Sateesh; English, Niall J.; Phillips, Andrew D.; MacElroy, J. M. D.

Implicit and Explicit Solvent Models for Modeling a Bifunctional Arene Ruthenium Hydrogen-Storage Catalyst: A Classical and Ab Initio Molecular Simulation Study 用于模拟双功能芳烃钌储氢催化剂的隐式和显式溶剂模型: 经典和从头算分子模拟研究

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2014-01-04

OAAI

Bandaru, Sateesh; English, Niall J.; MacElroy, J. M. D.

Diffusive hydrogen inter-cage migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-03-07

OAAI

Cao, Huayu; English, Niall J.; MacElroy, J. M. D.

Dynamical cage behaviour and hydrogen migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-01-24

OAAI

Gorman, Paul D.; English, Niall J.; MacElroy, J. M. D.

Mechanisms for thermal conduction in hydrogen hydrate

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-01-23

OAAI

English, Niall J.; Gorman, Paul D.; MacElroy, J. M. D.

A TD-DFT study of the effects of structural variations on the photochemistry of polyene dyes

CHEMICAL SCIENCE

IF7.4

2012-01-01

OAAI

Agrawal, Saurabh; Dev, Pratibha; English, Niall J.; Thampi, K. Ravindranathan; MacElroy, J. M. D.

Electrophoretic Deposition of Poly(3-decylthiophene) onto Gold-Mounted Cadmium Selenide Nanorods

LANGMUIR

IF3.9

2011-10-13

OAAI

Garate, Jose-Antonio; English, Niall J.; Singh, Ajay; Ryan, Kevin M.; Mooney, Damian A.; MacElroy, J. M. D.

Human aquaporin 4 gating dynamics in dc and ac electric fields: A molecular dynamics study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-02-07

PREAI

Garate, J. -A.; English, Niall J.; MacElroy, J. M. D.

Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-09-18

PREAI

Garate, Jose-Antonio; English, Niall J.; MacElroy, J. M. D.

A comparative study of the properties of polar and nonpolar solvent/solute/polystyrene solutions in microwave fields via molecular dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2006-09-21

PREAI

Purdue, Mark J.; MacElroy, J. M. D.; O'Shea, D. F.; Okuom, Macduff O.; Blum, Frank D.

Nanoscale tubular vessels for storage of methane at ambient temperatures

LANGMUIR

IF3.9

2006-09-07

PREAI

Kowalczyk, Piotr; Solarz, Lech; Do, D. D.; Samborski, Adam; MacElroy, J. M. D.

Molecular dynamics of polystyrene solutions in microwave fields

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2006-05-22

PREAI

Purdue, Mark J.; MacElroy, J. M. D.; O'Shea, D. F.; Okuom, Macduff O.; Blum, Frank D.

Molecular dynamics studies of two particles in a rectangular box: Hard-sphere and square-well interactions

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

IF3.1

2005-07-01

PREAI

Suh, SH; Lee, JW; Moon, H; Macelroy, JMD

Theoretical studies of the kinetics of methane hydrate crystallization in external electromagnetic fields

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-06-01

137

PREAI

English, NJ; MacElroy, JMD

研究方向