2-chlorophenol adsorption on Cu(100): first-principles density functional study
- Creator: Altarawneh, Mohammednoor , Radny, Marian W. , Smith, Phillip V. , Mackie, John C. , Kennedy, Eric M. , Dlugogorski, Bogdan Z.
- Resource Type: journal article
- Date: 2008
A first-principles density functional study of chlorophenol adsorption on Cu₂O(110):CuO
- Creator: Altarawneh, Mohammednoor , Radny, Marian W. , Smith, Phillip V. , Mackie, John C. , Kennedy, Eric M. , Dlugogorski, Bogdan Z. , Soon, Aloysius , Stampfl, Catherine
- Resource Type: journal article
- Date: 2009
Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface
- Creator: Warschkow, Oliver , Gao, Irene , Schofield, Steven R. , Belcher, Daniel R. , Radny, Marian W. , Saraireh, Sherin A. , Smith, Phillip V.
- Resource Type: journal article
- Date: 2009
Affinities of solvated rare earth cations with collectors and mineral interfaces: A density functional theory investigation
- Creator: Brown, Joshua J. , Page, Alister J.
- Resource Type: journal article
- Date: 2024
An experimental and theoretical investigation on the oxidation of co over pd/c derived from the spent pd catalyst
- Creator: Palliyarayil, Ansari , Selvarajan, Premkumar , Prakash, Pavan Seethur , Sathish, C. I. , Dasireddy, Venkata D. B. C. , Vinu, Ajayan , Kumar, Nallaperumal Shunmuga , Sil, Sanchita
- Resource Type: journal article
- Date: 2021
An introduction to the calculation of valence EELS: quantum mechanical methods for bulk solids
- Creator: Keast, V. J.
- Resource Type: journal article
- Date: 2013
Applications and theoretical simulation of low-loss electron energy-loss spectra
- Creator: Keast, V. J. , Bosman, M.
- Resource Type: journal article
- Date: 2008
Atomic and electronic structure of the K/Si(111)√3x√3R30°-B chemisorption system
- Creator: Shi, H. Q. , Radny, M. W. , Smith, P. V.
- Resource Type: journal article
- Date: 2004
Atomic and electronic stucture of the Si(001)2x2-Li chemisorption system at 0.5 monolayer coverage
- Creator: Shi, H. Q. , Radny, M. W. , Smith, P. V.
- Resource Type: journal article
- Date: 2004
Binding sites for SiH₂/Si(0 0 1): a combined ab initio, tight-binding, and classical investigation
- Creator: Cereda, S. , Montalenti, F. , Cogoni, M. , Branduardi, D. , Radny, M. W. , Smith, P. V. , Miglio, Leo
- Resource Type: journal article
- Date: 2006
Bonding and electronics of the MoTe₂/Ge interface under strain
- Creator: Szary, Maciej J. , Michalewicz, Marek T. , Radny, Marian W.
- Resource Type: journal article
- Date: 2017
Carbonyl mediated attachment to silicon: acetaldehyde on Si(001)
- Creator: Belcher, Daniel R. , Schofield, Steven R. , Warschkow, Oliver , Radny, Marian W. , Smith, Phillip V.
- Resource Type: journal article
- Date: 2009
Clean and metal-doped bundles of boron-carbide nanotubes: a density functional study
- Creator: Ponomarenko, O. , Radny, M. W. , Smith, P. V.
- Resource Type: journal article
- Date: 2007
Computational defect engineering of d⁰ oxide & oxynitride photocatalysts
- Creator: Brown, Joshua J.
- Resource Type: thesis
- Date: 2021
Convergence rate analysis of Gaussian belief propagation for Markov networks
- Creator: Zhang, Zhaorong , Fu, Munyue
- Resource Type: journal article
- Date: 2020
Coverage-dependent molecular tilt of carbon monoxide chemisorbed on Pt{110}: a combined LEED and DFT structural analysis
- Creator: Karakatsani, Sofia , Ge, Qingfeng , Gladys, Michael J. , Held, Geog , King, David A.
- Resource Type: journal article
- Date: 2012
Dechlorination and defluorination capability of sulfidized nanoscale zerovalent iron with suppressed water reactivity
- Creator: Cao, Zhen , Xu, Jiang , Li, Hao , Ma, Tianyi , Lou, Liping , Henkelman, Graeme , Xu, Xinhua
- Resource Type: journal article
- Date: 2020
Defects Engineering Induced Ultrahigh Magnetization in Rare Earth Element Nd-doped MoS2
- Creator: Ding, Xiang , Cui, Xiangyuan , Sohail, Ahmed , Murmu, Peter P. , Kennedy, John , Bao, Nina , Ding, Jun , Liu, Rong , Peng, Mingli , Wang, Lan , Chu, Xueze , Vinu, Ajayan , Ringer, Simon P. , Yi, Jiabao
- Resource Type: journal article
- Date: 2021
Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)
- Creator: Reusch, T. C. G , Warschkow, O. , Radny, M. W. , Smith, P. V. , Marks, N. A. , Curson, N. J. , McKenzie, D. R. , Simmons, M. Y.
- Resource Type: journal article
- Date: 2007
Effect of Manganese on the selective catalytic hydrogenation of CO x in the presence of light hydrocarbons over Ni/Al2O3: an experimental and computational study
- Creator: Shadravan, Vahid , Bukas, Vanessa J. , Stockenhuber, Michael , Gunasooriya, G. T. Kasun Kalhara , Waleson, Jason , Drewery, Matthew , Karibika, Joel , Jones, Jamie , Kennedy, Eric , Adesina, Adesoji , Nørskov, Jens K.
- Resource Type: journal article
- Date: 2020