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- Q4663095 subject Q6563815.
- Q4663095 subject Q8219396.
- Q4663095 abstract "The ab initio multiple spawning, or AIMS, method is a time-dependent formulation of quantum chemistry.In AIMS, nuclear dynamics and electronic structure problems are solved simultaneously. Quantum mechanical effects in the nuclear dynamics are included, especially the nonadiabatic effects which are crucial in modeling dynamics on multiple electronic states.The AIMS method makes it possible to describe photochemistry from first principles molecular dynamics, with no empirical parameters. The method has been applied to two molecules of interest in organic photochemistry - ethylene and cyclobutene.The photodynamics of ethylene involves both covalent and ionic electronic excited states and the return to the ground state proceeds through a pyramidalized geometry. For the photoinduced ring opening of cyclobutene, is it shown that the disrotatory motion predicted by the Woodward–Hoffmann rules is established within the first 50 fs after optical excitation.The method was developed by chemistry professor Todd Martinez.".
- Q4663095 wikiPageExternalLink jp994174i.
- Q4663095 wikiPageExternalLink 1.476142.
- Q4663095 wikiPageWikiLink Q127920.
- Q4663095 wikiPageWikiLink Q151313.
- Q4663095 wikiPageWikiLink Q1530412.
- Q4663095 wikiPageWikiLink Q188403.
- Q4663095 wikiPageWikiLink Q188651.
- Q4663095 wikiPageWikiLink Q2607202.
- Q4663095 wikiPageWikiLink Q3077570.
- Q4663095 wikiPageWikiLink Q36496.
- Q4663095 wikiPageWikiLink Q411757.
- Q4663095 wikiPageWikiLink Q6563815.
- Q4663095 wikiPageWikiLink Q7812520.
- Q4663095 wikiPageWikiLink Q8219396.
- Q4663095 wikiPageWikiLink Q899608.
- Q4663095 wikiPageWikiLink Q944.
- Q4663095 comment "The ab initio multiple spawning, or AIMS, method is a time-dependent formulation of quantum chemistry.In AIMS, nuclear dynamics and electronic structure problems are solved simultaneously. Quantum mechanical effects in the nuclear dynamics are included, especially the nonadiabatic effects which are crucial in modeling dynamics on multiple electronic states.The AIMS method makes it possible to describe photochemistry from first principles molecular dynamics, with no empirical parameters.".
- Q4663095 label "Ab initio multiple spawning".