Performance and mechanism of the functional ionic liquid absorbent with the self-extraction property for CO2 capture

VMD: Visual molecular dynamics

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Multiwfn: A multifunctional wavefunction analyzer

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Natural Sciences, Chemistry, Visualization +15

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

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Natural Sciences, Chemistry, Computer Science +16

Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**

Tian Lu, Qinxue Chen · Chemistry - Methods · 2021 · 1.8K citations · Full text

Natural Sciences, Chemistry, Physics +17

Wavefunction and reactivity study of benzo[a]pyrene diol epoxide and its enantiomeric forms

Tian Lu, Sergio Manzetti · Structural Chemistry · 2014 · 782 citations

Natural Sciences, Chemistry, Computational Chemistry +10