2-chlorophenol adsorption on Cu(100): first-principles density functional study

- Altarawneh, Mohammednoor, Radny, Marian W., Smith, Phillip V., Mackie, John C., Kennedy, Eric M., Dlugogorski, Bogdan Z.

A first-principles density functional study of chlorophenol adsorption on Cu₂O(110):CuO

- Altarawneh, Mohammednoor, Radny, Marian W., Smith, Phillip V., Mackie, John C., Kennedy, Eric M., Dlugogorski, Bogdan Z., Soon, Aloysius, Stampfl, Catherine

Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface

- Warschkow, Oliver, Gao, Irene, Schofield, Steven R., Belcher, Daniel R., Radny, Marian W., Saraireh, Sherin A., Smith, Phillip V.

An experimental and theoretical investigation on the oxidation of co over pd/c derived from the spent pd catalyst

- Palliyarayil, Ansari, Selvarajan, Premkumar, Prakash, Pavan Seethur, Sathish, C. I., Dasireddy, Venkata D. B. C., Vinu, Ajayan, Kumar, Nallaperumal Shunmuga, Sil, Sanchita

An introduction to the calculation of valence EELS: quantum mechanical methods for bulk solids

- Keast, V. J.

Applications and theoretical simulation of low-loss electron energy-loss spectra

- Keast, V. J., Bosman, M.

Atomic and electronic structure of the K/Si(111)√3x√3R30°-B chemisorption system

- Shi, H. Q., Radny, M. W., Smith, P. V.

Atomic and electronic stucture of the Si(001)2x2-Li chemisorption system at 0.5 monolayer coverage

- Shi, H. Q., Radny, M. W., Smith, P. V.

Binding sites for SiH₂/Si(0 0 1): a combined ab initio, tight-binding, and classical investigation

- Cereda, S., Montalenti, F., Cogoni, M., Branduardi, D., Radny, M. W., Smith, P. V., Miglio, Leo

Bonding and electronics of the MoTe₂/Ge interface under strain

- Szary, Maciej J., Michalewicz, Marek T., Radny, Marian W.

Carbonyl mediated attachment to silicon: acetaldehyde on Si(001)

- Belcher, Daniel R., Schofield, Steven R., Warschkow, Oliver, Radny, Marian W., Smith, Phillip V.

Clean and metal-doped bundles of boron-carbide nanotubes: a density functional study

- Ponomarenko, O., Radny, M. W., Smith, P. V.

Convergence rate analysis of Gaussian belief propagation for Markov networks

- Zhang, Zhaorong, Fu, Munyue

Coverage-dependent molecular tilt of carbon monoxide chemisorbed on Pt{110}: a combined LEED and DFT structural analysis

- Karakatsani, Sofia, Ge, Qingfeng, Gladys, Michael J., Held, Geog, King, David A.

Dechlorination and defluorination capability of sulfidized nanoscale zerovalent iron with suppressed water reactivity

- Cao, Zhen, Xu, Jiang, Li, Hao, Ma, Tianyi, Lou, Liping, Henkelman, Graeme, Xu, Xinhua

Defects Engineering Induced Ultrahigh Magnetization in Rare Earth Element Nd-doped MoS2

- 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

Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)

- Reusch, T. C. G, Warschkow, O., Radny, M. W., Smith, P. V., Marks, N. A., Curson, N. J., McKenzie, D. R., Simmons, M. Y.

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

- 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.

Electronic effects of isolated halogen atoms on the Ge(001) surface

- Shah, G. A., Radny, M. W., Smith, P. V.

Electronic effects of single H atoms on Ge(001) revisited

- Shah, G. A., Radny, M. W., Smith, P. V., Schofield, S. R., Curson, N. J.