Gas-phase conformations: The ion mobility/ion chromatography method

T Wyttenbach, MT Bowers - Modern Mass Spectrometry, 2003 - Springer
Ion mobility spectrometry coupled to mass spectrometry provides a powerful tool to explore
the three-dimensional shape of polyatomic ions. Applications include the investigation of …

Structural information from ion mobility measurements: applications to semiconductor clusters

AA Shvartsburg, RR Hudgins, P Dugourd… - Chemical Society …, 2001 - pubs.rsc.org
Ion mobility measurements are one of the few methods presently available that can directly
probe the structures of relatively large molecules in the gas phase. Here we review the …

[图书][B] Differential ion mobility spectrometry: nonlinear ion transport and fundamentals of FAIMS

AA Shvartsburg - 2008 - taylorfrancis.com
Over the last decade, scientific and engineering interests have been shifting from
conventional ion mobility spectrometry (IMS) to field asymmetric waveform ion mobility …

Solid clusters above the bulk melting point

AA Shvartsburg, MF Jarrold - Physical Review Letters, 2000 - APS
The fact that the melting points of nanoparticles are always lower than those of the
corresponding bulk material is a paradigm supported by extensive experimental data for a …

Single-parent evolution algorithm and the optimization of Si clusters

I Rata, AA Shvartsburg, M Horoi, T Frauenheim… - Physical Review Letters, 2000 - APS
We describe a novel method for the structural optimization of molecular systems. Similar to
genetic algorithms (GA), our approach involves an evolving population in which new …

Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of

X Zhu, XC Zeng - The Journal of chemical physics, 2003 - pubs.aip.org
Ab initio all-electron molecular-orbital calculations have been carried out to study the
structure and relative stability of small silicon clusters (Si n, n= 7–11). A number of low …

Modeling ionic mobilities by scattering on electronic density isosurfaces: Application to silicon cluster anions

AA Shvartsburg, B Liu, MF Jarrold… - The Journal of Chemical …, 2000 - pubs.aip.org
Mobility measurements have been established over the last decade as a versatile and
powerful tool for the structural characterization of gas-phase ions. This approach has been …

Unraveling the shape transformation in silicon clusters

KA Jackson, M Horoi, I Chaudhuri, T Frauenheim… - Physical review …, 2004 - APS
The prolate-to-spherical shape transition in Group IV clusters has been a puzzle since its
discovery over a decade ago. Here we explain this phenomenon by elucidating the …

High-resolution ion mobility measurements for silicon cluster anions and cations

RR Hudgins, M Imai, MF Jarrold… - The Journal of chemical …, 1999 - pubs.aip.org
High-resolution ion mobility measurements have been performed for silicon cluster anions
and cations, Sin and Sin, n 6–55. New isomers have been resolved for every cluster size …

Silicon clusters of intermediate size: energetics, dynamics, and thermal effects

L Mitas, JC Grossman, I Stich, J Tobik - Physical review letters, 2000 - APS
A combination of the best available theoretical techniques for energetics, dynamics, and
thermodynamics is employed in an extensive study of Si n (n= 20, 25) clusters. For T= 0 we …