Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N CD Zeinalipour-Yazdi, JSJ Hargreaves, CRA Catlow The Journal of Physical Chemistry C 119 (51), 28368-28376, 2015 | 171 | 2015 |
Mechanistic aspects of the water–gas shift reaction on alumina-supported noble metal catalysts: In situ DRIFTS and SSITKA-mass spectrometry studies GG Olympiou, CM Kalamaras, CD Zeinalipour-Yazdi, AM Efstathiou Catalysis Today 127 (1-4), 304-318, 2007 | 122 | 2007 |
Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N CD Zeinalipour-Yazdi, JSJ Hargreaves, CRA Catlow The Journal of Physical Chemistry C 122 (11), 6078-6082, 2018 | 111 | 2018 |
CO adsorption on transition metal clusters: Trends from density functional theory CD Zeinalipour-Yazdi, AL Cooksy, AM Efstathiou Surface science 602 (10), 1858-1862, 2008 | 111 | 2008 |
Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy EK Dann, EK Gibson, RH Blackmore, CRA Catlow, P Collier, A Chutia, ... Nature Catalysis 2 (2), 157-163, 2019 | 92 | 2019 |
The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping S Laassiri, CD Zeinalipour-Yazdi, CRA Catlow, JSJ Hargreaves Applied Catalysis B: Environmental 223, 60-66, 2018 | 92 | 2018 |
Finding the Proton in a Key Intermediate of anti-Markovnikov Alkyne Hydration by a Bifunctional Catalyst DB Grotjahn, EJ Kragulj, CD Zeinalipour-Yazdi, V Miranda-Soto, DA Lev, ... Journal of the American Chemical Society 130 (33), 10860-10861, 2008 | 88 | 2008 |
CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles CD Zeinalipour-Yazdi, DJ Willock, L Thomas, K Wilson, AF Lee Surface Science 646, 210-220, 2016 | 76 | 2016 |
DFT-D3 Study of Molecular N2 and H2 Activation on Co3Mo3N Surfaces CD Zeinalipour-Yazdi, JSJ Hargreaves, CRA Catlow The Journal of Physical Chemistry C 120 (38), 21390-21398, 2016 | 73 | 2016 |
Crowdsourced trace similarity with smartphones D Zeinalipour-Yazti, C Laoudias, C Costa, M Vlachos, MI Andreou, ... IEEE Transactions on Knowledge and Data Engineering 25 (6), 1240-1253, 2012 | 46 | 2012 |
Correlation of polarizabilities with Van der Waals interactions in π-systems CD Zeinalipour-Yazdi, DP Pullman The Journal of Physical Chemistry B 110 (47), 24260-24265, 2006 | 45 | 2006 |
Nitrogen transfer properties in tantalum nitride based materials S Laassiri, CD Zeinalipour-Yazdi, CRA Catlow, JSJ Hargreaves Catalysis Today 286, 147-154, 2017 | 43 | 2017 |
Quantitative structure− property relationships for longitudinal, transverse, and molecular static polarizabilities in polyynes CD Zeinalipour-Yazdi, DP Pullman The Journal of Physical Chemistry B 112 (25), 7377-7386, 2008 | 43 | 2008 |
Linear correlation between binding energy and Young’s modulus in graphene nanoribbons CD Zeinalipour-Yazdi, C Christofides Journal of Applied physics 106 (5), 2009 | 37 | 2009 |
Implications of HIV-1 M Group Polymorphisms on Integrase Inhibitor Efficacy and Resistance: Genetic and Structural in Silico Analyses EZ Loizidou, I Kousiappa, CD Zeinalipour-Yazdi, DAMC Van de Vijver, ... Biochemistry 48 (1), 4-6, 2009 | 36 | 2009 |
The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides CD Zeinalipour-Yazdi, JSJ Hargreaves, S Laassiri, CRA Catlow Physical Chemistry Chemical Physics 20 (34), 21803-21808, 2018 | 29 | 2018 |
Preadsorbed Water-Promoted Mechanism of the Water− Gas Shift Reaction CD Zeinalipour-Yazdi, AM Efstathiou The Journal of Physical Chemistry C 112 (48), 19030-19039, 2008 | 28 | 2008 |
DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100),(010) and (001) surfaces CD Zeinalipour-Yazdi, JSJ Hargreaves, S Laassiri, CRA Catlow Physical Chemistry Chemical Physics 19 (19), 11968-11974, 2017 | 26 | 2017 |
A new interpretation of the scanning tunneling microscope image of graphite CD Zeinalipour-Yazdi, DP Pullman Chemical Physics 348 (1-3), 233-236, 2008 | 25 | 2008 |
Analysis of binding parameters of HIV-1 integrase inhibitors: correlates of drug inhibition and resistance EZ Loizidou, CD Zeinalipour-Yazdi, T Christofides, LG Kostrikis Bioorganic & medicinal chemistry 17 (13), 4806-4818, 2009 | 23 | 2009 |