Published on 01 January 2017

Water evaporation - MD - 01

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Karnes, John;Benjamin, Ilan

Description

Evaporation of a molecule of water: this 25 second video is 4.66 ps of simulation time. The evaporating water molecule is blue to make tracking easier and the green dashed lines indicate water-water hydrogen bonds.

Simulation temperature = 330 K and the water model is a modified flexible simple point charge (SPC) with intermolecular potentials as described by Kuchitsu and Morino (1965.)

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.3

FAIR Score

13%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

figshare

Assigned Domain

Subfield

Environmental Chemistry

Field

Environmental Science

Domain

Physical Sciences

Confidence Score

60%

Source

Scholar Data Model

Keywords

Computational Chemistry30699 Physical Chemistry not elsewhere classifiedFOS: Chemical sciences30704 Statistical Mechanics in Chemistry30799 Theoretical and Computational Chemistry not elsewhere classified

Normalization Factors

FT

13.46

CTw

1.00

MTw

1.00