Published on 01 January 2021
PMF Files (iAMOEBA)
View DatasetMuthachikavil, Aswin Vinod;Xiaodong Liang;Kontogeorgis, Georgios M.;Peng, Baoliang
Description
Contains files with data of PMF landscape at different temperatures and pressures. The file names indicate the temperature and pressure of the system.
This folder contains data of iAMOEBA water model. The x column indicates the O--H distance (A), the y column contains the O-H-O angles (degrees) and the z column has the PMF values in kT
This item is a part of the collection “Data for scientific article- Potential of mean force based identification of strong and weak hydrogen bonds in liquid water”, https://doi.org/10.11583/dtu.c.5324957
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Metrics Over Time
Publication Details
Subfield
Organic Chemistry
Field
Chemistry
Domain
Physical Sciences
Confidence Score
40%
Source
Scholar Data Model
Keywords
Applied Physics80110 Simulation and ModellingFOS: Computer and information sciences90499 Chemical Engineering not elsewhere classifiedFOS: Chemical engineering