Estimation and prediction of ellipsoidal molecular shapes in organic crystals based on ellipsoid packing

Crystal structure prediction has been one of the fundamental and challenging problems in materials science. It is computationally exhaustive to identify molecular conformations and arrangements in organic molecular crystals due to complexity in intra- and inter-molecular interactions. From a geometr...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Udgivet i:PLoS One
Main Authors: Ito, Daiki, Shirasawa, Raku, Iino, Yoichiro, Tomiya, Shigetaka, Tanaka, Gouhei
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2020
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7526905/
https://ncbi.nlm.nih.gov/pubmed/32997718
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0239933
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker