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RESEARCH PRODUCT

Tetraaza-2,2′-biphenylophanes: larger is not always more flexible. The role of intramolecular H-bonding in polyazamacrocycles

Manel QuerolEnrique García-españaSantiago V. LuisLaura LópezM. Isabel BurgueteBeatriu EscuderJuan F. Miravet

subject

Molecular dynamicsCrystallographyFlexibility (anatomy)medicine.anatomical_structureHydrogen bondComputational chemistryChemistryIntramolecular forceOrganic ChemistryDrug DiscoverymedicineBiochemistry

description

Abstract Intramolecular H-bonding can explain the trends in conformational flexibility for tetraaza-2,2′-biphenylophanes obtained by NMR and molecular dynamics calculations.

https://doi.org/10.1016/s0040-4039(02)00121-1