A second-generation potential energy function for solid carbon and hydrocarbon molecules
that is based on an empirical bond order formalism is presented. This potential allows for …

Secondary ion mass spectrometry, SIMS, is the mass spectrometry of ionised particles which
are emitted when a surface is bombarded by energetic primary particles, usually ions (for …

Molecular dynamics simulations have been used to model the kiloelectronvolt particle
bombardment of organic layers on metal substrates such as occurs in the analytical …

Molecular dynamics simulations are used to investigate the separation of water films
adjacent to a hot metal surface. The simulations clearly show that the water layers nearest …

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) data are complex, even for the
simplest systems. Yet it is within this complexity that information about sample composition …

Self-assembled monolayers (SAMs) of dodecanethiol on gold formed by solution assembly
and microcontact printing were compared using electron spectroscopy for chemical analysis …

We report a molecular simulation study of the c (4× 2) superlattice structure of alkanethiols
on Au (111) based on an accurate force field developed from ab initio quantum chemical …

Computational fluid dynamics is used to model atmospheric transport and droplet–thin film
(surface) collisions in desorption electrospray ionization; experimentally obtained droplet …

In standard molecular junctions, a molecular structure is placed between and connected to
metal leads. Understanding how mechanical tuning in such molecular junctions can change …

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) negative and positive spectral
fragmentation patterns acquired from a series of samples taken at various times during the …