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.

Adsorption of corannulene on graphene

- Sripaturad, Panyada, Thamwattana, Ngamta, Karton, Amir, Stevens, Kyle, Baowan, Duangkamon

Affinities of solvated rare earth cations with collectors and mineral interfaces: A density functional theory investigation

- Brown, Joshua J., Page, Alister J.

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.

Computational defect engineering of d⁰ oxide & oxynitride photocatalysts

- Brown, Joshua J.

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.