Exploiting directional long range secondary forces for regulating electrostatics-dominated noncovalent interactions
نویسندگان
چکیده
منابع مشابه
Exploiting directional long range secondary forces for regulating electrostatics-dominated noncovalent interactions† †Electronic supplementary information (ESI) available: Tables S1–S9, Fig. S1–S16, and xyz coordinates of optimized geometries for all of the structures considered in the study are provided here. See DOI: 10.1039/c6sc03642b Click here for additional data file.
It has been well established that long range secondary electrostatic interactions (SEIs) have a significant effect on the stability of supramolecular complexes. However, general rules for exploiting SEIs in the rational design of diverse supramolecular complexes have been difficult to obtain. In this work, we outline a quantum chemical approach for understanding the strength of electrostatic in...
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2017
ISSN: 2041-6520,2041-6539
DOI: 10.1039/c6sc03642b