Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals"

Chengxi Zhao,Linjiang Chen,Yu Che,Zhongfu Pang,Xiao-Feng Wu,Yunxiang Lu,Honglai Liu,Graeme M. Day,Andrew I. Cooper

Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals"

2021

Chengxi Zhao
Linjiang Chen
Yu Che
Zhongfu Pang
Xiao-Feng Wu
Yunxiang Lu
Honglai Liu
Graeme M. Day
Andrew I. Cooper

Computational data related to landscapes of predicted crystal structures reported in Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals

Keywords:

Hydrogen
Function (mathematics)
energy structure
Crystal structure
Chemical physics
Porosity
Materials science

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