Z-matrix template-based substitution approach for enumeration of 3D molecular structures

The exhaustive enumeration of 3D chemical structures based on Z-matrix templates has recently been used in the quantum chemical investigation of constitutional isomers, diastereomers and rotamers. This simple yet powerful initial structure generation approach can apply beyond the investigation of co...

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Detalles Bibliográficos
Autores principales: Lorpaiboon, Wanutcha, Limpanuparb, Taweetham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Method Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8374508/
https://www.ncbi.nlm.nih.gov/pubmed/34430311
http://dx.doi.org/10.1016/j.mex.2021.101416

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8374508/
https://www.ncbi.nlm.nih.gov/pubmed/34430311
http://dx.doi.org/10.1016/j.mex.2021.101416

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