Jumping, rotating, and flapping: the atomic-scale motion of thiophene on Cu(111)

- Lechner, Barbara A. J., Sacchi, Marco, Jardine, Andrew P., Hedgeland, Holly, Allison, William, Ellis, John, Jenkins, Stephen J., Dastoor, Paul C., Hinch, B. J.

Structural and electronic properties of chain-like structures formed by mixed PbAl dimers on Si(001) - computational DFT study

- Puchalska, A., Racis, A., Jurczyszyn, L., Radny, M. W.

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.

Electronic structure of the CuCl₂ (100) surface: a DFT first-principle study

- Saraireh, Sherin A., Altarawneh, Mohammednoor

Slab thickness effects for the clean and adsorbed Ge(001) surface with comparison to Si(001)

- Shah, G. Ali, Radny, Marian W., Smith, Phillip V., Schofield, Steven R.

Spin-orbit and modified Becke-Johnson potential effects on the electronic properties of bulk Ge: a density functional theory study

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

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.

Electronic, optical and bonding properties of MgCO₃

- Hossain, Faruque M., Dlugogorski, B. Z., Kennedy, E. M., Belova, I. V., Murch, Graeme E.

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.

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

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

Electronic, optical and bonding properties of CaCO₃ calcite

- Hossain, Faruque M., Murch, Graeme E., Belova, Irina V., Turner, Brett D.

Pyrolysis and decomposition pathways of alphacypermethrin under non-oxidative conditions

- Summoogum, S. L., Mackie, J. C., Kennedy, E. M., Dlugogorski, B. Z.

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.

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

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

Valence surface electronic states on Ge(001)

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

Water on silicon (001): C defects and initial steps of surface oxidation

- Warschkow, O., Schofield, S. R., Marks, N. A., Radny, M. W., Smith, P. V., McKenzie, D. R.

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

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

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.

Single hydrogen atoms on the Si(001) surface

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