most citedQuantum chemical calculations to elucidate the electronic and elastic properties of topologically equivalent metal organic frameworks

3 citations · 5 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2017★ 2 cited

Dynamics, Structure and Glass Formation of Calcium Aluminate Liquids

Hao Liu, Ruikun Pan, Wenlin Chen +9

Crystalline calcium-aluminates include the phases essential in the setting of Portland cements developed over the last century. It is only within recent decades, however, that calc…

cond-mat.mtrl-sci2017★ 3 cited

Quantum chemical calculations to elucidate the electronic and elastic properties of topologically equivalent metal organic frameworks

Mo Xiong, Neng Li, George Neville Greaves +2

We have theoretically investigated the elastic properties of three topologically identical zeolitic imidazolate frameworks: ZIF-4, ZIF-62 and TIF-4, by means of ab initio calculati…