Molecular Fragmentation Dynamics Research Articles

Simulation of tetraetherlipids on solid surfaces – an extension of the DPD-model

Glyceroldialkylnomizoltetraetherlipid (GDNT) is a tetraetherlipid that can be extracted from archaebacteria and that is known for its antifouling capabilities [1]. Therefore it is of interest to find out whether solid surfaces can be coated with this material in order to generate resistant devices for water analytics. Recently we developed a new mesoscopic molecular modelling computer simulation method from the Dissipative Particle Dynamics (DPD) method [2] useful for simulations of specific dynamical processes at the microsecond and micrometer scale. This unique technique, called Molecular-Fragment-Dynamics (MFD), can be generally applied to surfactants, polymers, nanoparticles and complex mixtures in materials and life science simulation studies [3]. In MFD the molecule is divided into different regions of molecular fragments. Therefore, the MFD scheme overcomes the limitations of classic atomic scale simulations. This method has been applied to a system of GDNT in three different solvents (e.g. cyclohexane, chloroform and carbon tetrachlorine) at the interface with a solid borofloate substrate. Goal of the study was to find out at which concentration of GDNT and in which solvent the best levels of aggregation could be reached and how such coated surfaces look like. The results of the study will be presented on the poster with pictures and graphs.

Time-Resolved Imaging and Manipulation ofH2Fragmentation in Intense Laser Fields

We report on the experimental realization of time-resolved coincident Coulomb explosion imaging of H2 fragmentation in 10(14) W/cm(2) laser fields. Combining a high-resolution "reaction microscope" and a fs pump-probe setup, we map the motion of wave packets dissociating via one- or two-photon channels, respectively, and observe a new region of enhanced ionization. The long-term interferometric stability of our system allows us to extend pump-probe experiments into the region of overlapping pulses, which offers new possibilities for the manipulation of ultrafast molecular fragmentation dynamics.

Molecular Fragment Dynamics (MFD): A new Molecular Modeling Simulation Method in Industrial Research and Development

Chemie Ingenieur TechnikVolume 77, Issue 8 p. 1086-1086 Vortrag Molecular Fragment Dynamics (MFD): A new Molecular Modeling Simulation Method in Industrial Research and Development H. Kuhn Dr., H. Kuhn Dr. kuhn@molecular-dynamics.de CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this authorS. Schulz Dr., S. Schulz Dr. CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this authorU. Frieske, U. Frieske CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this author H. Kuhn Dr., H. Kuhn Dr. kuhn@molecular-dynamics.de CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this authorS. Schulz Dr., S. Schulz Dr. CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this authorU. Frieske, U. Frieske CAM-D Technologies GmbH, Gerlingstraße 65, D-45139 EssenSearch for more papers by this author First published: 10 August 2005 https://doi.org/10.1002/cite.200590106AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume77, Issue8Special Issue: GVC/DECHEMA‐JahrestagungenAugust, 2005Pages 1086-1086 RelatedInformation

Dynamics of low molecular weight DNA fragments in dilute and semidilute solutions

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDynamics of low molecular weight DNA fragments in dilute and semidilute solutionsHidde T. Goinga and R. PecoraCite this: Macromolecules 1991, 24, 23, 6128–6138Publication Date (Print):November 1, 1991Publication History Published online1 May 2002Published inissue 1 November 1991https://doi.org/10.1021/ma00023a013RIGHTS & PERMISSIONSArticle Views164Altmetric-Citations34LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (1 MB) Get e-Alerts Get e-Alerts

An interpretation of molecular fragmentation dynamics in terms of the resonance spectrum

Quasidegenerate perturbation theory using a Bloch wave operator formalism is applied to the calculation of the rich resonance spectrum of a model polyatomic molecule undergoing photodissociation. The sharp structures (peaks and dips patterns) of the total dissociation rate as well as the partial probabilities to obtain the fragments at given internal states for various incident photon energies, are interpreted in terms of tunneling, shape or Feshbach resonances.