Ontology highlight
ABSTRACT:
SUBMITTER: Cho D
PROVIDER: S-EPMC6452053 | biostudies-literature | 2019 May
REPOSITORIES: biostudies-literature
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 20190501 2145
X-ray diffraction signals from the time-evolving molecular charge density induced by selective core excitation of chemically inequivalent carbon atoms are calculated. A narrowband X-ray pulse selectively excites the carbon K-edge of the -CH<sub>3</sub> or -CH<sub>2</sub>F groups in fluoroethane (CH<sub>3</sub>-CH<sub>2</sub>F). Each excitation creates a distinct core coherence which depends on the character of the electronic transition. Direct propagation of the reduced single-electron density m ...[more]