COMPLEMENTARY HYDROGEN-BONDING IN DIAMIDES - A STUDY ON THE INFLUENCE OF REMOTE SUBSTITUENTS USING DENSITY-FUNCTIONAL THEORY
Density functional calculations using gradient corrected functionals have been used to explore the factors which determine the strength of the intermolecular interaction in cyclic systems formed by complementary hydrogen bonding between amides. Optimised structures and interaction energies are prese...
| Κύριοι συγγραφείς: | , |
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| Μορφή: | Journal article |
| Γλώσσα: | English |
| Έκδοση: |
1995
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