Explorations in the Dynamics of Crystalline Solids and the Evolution of Crystal Formation Processes
Sign Up to like & getrecommendations! Published in 2017 at "Israel Journal of Chemistry"
DOI: 10.1002/ijch.201600088
Abstract: This article describes a few selected areas of research within the field of structural chemistry, with emphasis on aspects that have been influenced and inspired by the seminal work of Jack Dunitz. The topics covered… read more here.
Keywords: dynamics crystalline; evolution; chemistry; crystalline solids ... See more keywords
Proton dynamics in crystalline tropolone studied by Born-Oppenheimer molecular simulations
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DOI: 10.1016/j.cplett.2018.07.026
Abstract: Abstract Proton dynamics in a tropolone crystal was studied by 2D quantization of nuclear motions using Born-Oppenheimer molecular dynamics. This study presents the characteristics of the conjugated system of O H stretching vibrations in the… read more here.
Keywords: dynamics crystalline; tropolone crystal; proton dynamics; born oppenheimer ... See more keywords
Growth Dynamics of Crystalline Ar Hydrate
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DOI: 10.1021/acs.jpcc.0c00386
Abstract: The formation of a clathrate hydrate crystal is characterized by several steps, each of them distinguished by a different structural arrangement and temporal duration. A precise definition of these... read more here.
Keywords: growth dynamics; dynamics crystalline; crystalline hydrate; chemistry ... See more keywords
Vibrational Dynamics in crystalline 4-(dimethylamino) benzaldehyde: Inelastic Neutron Scattering and Periodic DFT Study
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DOI: 10.3390/ma15020475
Abstract: The structure and dynamics of crystalline 4-(dimethylamino) benzaldehyde, 4DMAB, are assessed through INS spectroscopy combined with periodic DFT calculations. The excellent agreement between experimental and calculated spectra is the basis for a reliable assignment of… read more here.
Keywords: periodic dft; methyl groups; dynamics crystalline; dimethylamino benzaldehyde ... See more keywords