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Conformational sampling of seven-membered rings using extended puckering collective variables in metadynamics

Mert Sagiroglugil1, Alba Nin-Hill1, Carme Rovira1,2

  • 1Departament de Química Inorganica i Organica & IQTCUB, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona, Spain.

The Journal of Chemical Physics
|September 24, 2025
PubMed
Abstract

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