Adsorption of metadiiodobenzene on Cu(110): A theoretical study

Stereo-isomerism controls surface reactivity: 1-chloropentane-pairs on Si(100)-2×1

(2011) K. R. Harikumar et al.   CHEMICAL COMMUNICATIONS

Molecular Calipers Control Atomic Separation at a Metal Surface

(2011) Lydie Leung et al.   NANO LETTERS

Imprinting self-assembled patterns of lines at a semiconductor surface, using heat, light, or electrons

(2010) K. R. Harikumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Cooperative molecular dynamics in surface reactions

(2009) K. R. Harikumar et al.   Nature Chemistry

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Adsorption of benzene, fluorobenzene and meta-di-fluorobenzene on Cu(110): A computational study

(2008) L. A. Zotti et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dipole-directed assembly of lines of 1,5-dichloropentane on silicon substrates by displacement of surface charge

(2008) K. R. Harikumar et al.   Nature Nanotechnology