Role of Host–Guest Charge Transfer in Cyclodextrin Complexation: A Computational Study

Author:

Yin Chunhua1ORCID,Cui Ziheng2,Jiang Yang23ORCID,van der Spoel David4ORCID,Zhang Haiyang1ORCID

Affiliation:

1. Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, 100083 Beijing, China

2. Beijing Key Lab of Bioprocess, College of Life Science and Technology, Beijing University of Chemical Technology, Box 53, 100029 Beijing, China

3. Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802, United States

4. Uppsala Center for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden

Funder

Natural Science Foundation of Beijing Municipality

National Natural Science Foundation of China

the Fundamental Research Funds for the Central Universities

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

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