<i>Ab Initio</i> Study of Proton Transfer and Hydration in Phosphorylated Nata de Coco
This research aims to calculate energetics parameters, hydrogen bonding, characteristics local hydration, and proton transfer in phosphorylated nata de coco (NDCF) membrane using ab initio method. The minimum energy structure of NDCF membranes and the addition of n water molecules (n = 1-10) determi...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Universitas Gadjah Mada
2017-11-01
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Series: | Indonesian Journal of Chemistry |
Subjects: | |
Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/24895 |