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Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model System |
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| Authors: | Harindu Rajapaksha Dr Logan J Augustine Dr Sara E Mason Dr Tori Z Forbes |
| Institution: | Department of Chemistry, University of Iowa, Chemistry Building W374, Iowa City, IA 52242 USA |
| Abstract: | |
| Keywords: | Crystal Engineering Hybrid Materials Hydrogen Bonding Periodic Density Functional Theory |