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Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics
In this review we discuss our investigations of electrons solvated in water by means of ab initio molecular dynamics simulations.
CF - Fyzikální chemie a teoretická chemie
- 2012 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Electron Diffraction Tomography and Dynamical Refinement for Crystal-Structure Characterization of Nanocrystalline Materials
the dynamical theory must be used due to the strong dynamical interaction between electrons and matter. Full structure refinement using dynamical theory has been in use for someThree-dimensional electron ...
BM - Fyzika pevných látek a magnetismus
- 2015 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Investigating the breakup dynamics of dihydrogen sulfide ions recombining with electrons. Art. No. 224314
Annotation in the original language : Investigating the breakup dynamics of dihydrogen sulfide ions recombining with electrons...
BL - Fyzika plasmatu a výboje v plynech
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Nonadiabatic chemical reaction triggered by electron photodetachment: An ab initio quantum dynamical study
Dynamics following electron photodetachment in a complex of a chloride anion with ammonia is explored by a combination of electronic structure and quantum dynamical methods. This system serves as a prototype for in...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Electron diffraction tomography and dynamical refinement for crystal-structure characterization of nanocrystalline materials
the dynamical theory must be used due to the strong dynamical interaction between electrons and matter. Full structure refinement using dynamical theory has been in use for someThree-dimensional electron ...
BM - Fyzika pevných látek a magnetismus
- 2015 •
- D •
- Link
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
Nonlocal Theory of Resonance Electron-Molecule Scattering
The theory of nuclear dynamics of electron-molecule collisions is summarized. The authors focus on the separation of the electronic Hilbert space into the discrete state and the continuum and on the derivation of the equati...
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2012 •
- C
Rok uplatnění
C - Kapitola v odborné knize
Discrete dynamical model of electronic cam
The discrete dynamic model of electronic cam aims to assemble the equations of motion, which with the verified parameters will allow analyzing virtually the mechanical properties of a mechanism in different dynamic modes wi...
JQ - Strojní zařízení a nástroje
- 2015 •
- C
Rok uplatnění
C - Kapitola v odborné knize
Interaction between single dust grains and ions or electrons: laboratory measurements and their consequences for the dust dynamics
Interaction between single dust grains and ions or electrons: laboratory measurements and their consequences for the dust dynamics......
BL - Fyzika plasmatu a výboje v plynech
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Dynamics of Electron Localization in Warn versus Cold Water Clusters
The process of electron localization on a cluster of 32 water molecules at different temperatures is unraveled using ab initio molecular dynamics simulations....
CF - Fyzikální chemie a teoretická chemie
- 2010 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States
Ab initio molecular dynamics simulations were performed with the aim to follow two possible scenarios for an excess electron in cold water clusters....
CF - Fyzikální chemie a teoretická chemie
- 2010 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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