Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density.

By C. Lefebvre, Gaëtan Rubez, H. Khartabil, J. Boisson, J. Contreras‐García, E. Hénon. Physical Chemistry, Chemical Physics - PCCP, 2017

1,019 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/0d65ea3146a25cf26d8d2829f1edce1d80270e6b

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In Atomic and Molecular Physics, and Optics

1. Qinxue Chen
2. Tian Lu

In Inorganic Chemistry

1. Tian Lu
2. Qinxue Chen

In Physical and Theoretical Chemistry

1. Qinxue Chen
2. Tian Lu

Citations in the corpus

• Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems (2021, background): “ Scatter map between various forms of ginter (ginter) and sign(2) can be directly drawn in Multiwfn, the peaks in this kind of map are shown to be useful in analyzing interfragment (intrafragment) interactions.[33]  Gpair, Gpair(%), Gatom, Gatom(%), Ginter indices and IBSI can be estimate”