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Perspective: Chemical Information Encoded in Electron Density

CONTRERAS-GARCÍA Julia YANG Weitao

物理化学学报2018，Vol.34Issue(6)：567-580,14.

物理化学学报2018，Vol.34Issue(6)：567-580,14.DOI:10.3866/PKU.WHXB201801261

Perspective: Chemical Information Encoded in Electron Density

CONTRERAS-GARCÍA Julia ¹YANG Weitao²

作者信息

1. UPMC Univ Paris 06, CNRS, UMR 7616, Laboratoire de Chimie Théorique, case courrier 137, 4 place Jussieu, F-75005, Paris, France
2. Department of Chemistry, Duke University, Durham, NC 27708, USA
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摘要

关键词

DFT/Semi-local functional/Electron density/Quantum chemical topology

Key words

DFT/Semi-local functional/Electron density/Quantum chemical topology

引用本文复制引用

CONTRERAS-GARCÍA Julia,YANG Weitao..Perspective: Chemical Information Encoded in Electron Density[J].物理化学学报,2018,34(6):567-580,14.

基金项目

This work was supported partially by the Framework of CALSIMLAB under the Public Grant ANR-11-LABX-0037-01 Overseen by the French National Research Agency (ANR) as Part of the "Investissements d’Avenir"Program (reference: ANR-11-IDEX-0004-02), by the National Science Foundation (CHE-1362927) and by the National Institute of Health (R01-GM061870), USA. （ANR）

物理化学学报

OA北大核心CSCDCSTPCD

ISSN：1000-6818

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