Charge state calculator

版本 2.0.0.0 (1.7 KB) 作者: Joris Meurs
Tool for calculating the charge state of a molecule in a solution with a certain pH
78.0 次下载
更新时间 2016/3/29

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File name : 'charge.m'. This file can be used
for calculating the charge state of a certain molecule
in a solution with a certain pH in the pH range of
0 - 14
Three input values : 'pH', 'pKa' and 'type'
One ouput value : 'c'
pH: pH of the solution
pKa: pKa of the molecule
type: Choose 'basic' in case of a basic group
Choose 'acidic' in case of an acidic group
c: Charge state of the molecule

Input syntax : c(pH,pKa,'type')

Developed by Joris Meurs BASc (2016)

引用格式

Joris Meurs (2024). Charge state calculator (https://www.mathworks.com/matlabcentral/fileexchange/55403-charge-state-calculator), MATLAB Central File Exchange. 检索来源 .

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版本 已发布 发行说明
2.0.0.0

Issues on calculations resolved

1.0.0.0