Not That DDT: A Databank of Dynamics Trajectories for Organic Reactions

• Yue Zhang ^[1] ; Misa Sayama ^[1] ; Michelle Luo ^[1] ; Yining Lu ^[1] ; Dean J. Tantillo ^[1]
  1. [1] University of California─Davis, United States
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 99, Nº 7, 2022, págs. 2721-2725
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • The Databank of Dynamics Trajectories (DDT, notthatddt.org) was established to assist students in visualizing the dynamical behaviors occurring during chemical reactions and conformational changes, with a focus on processes taught in introductory organic chemistry classes. Animations of reacting molecules created using ab initio molecular dynamics simulations constitute the key feature of the DDT website.