PM3 (chemistry)
id:
pm3-chemistry-200-18189921
title:
PM3 (chemistry)
text:
PM3, or Parametric Method 3, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. The PM3 method uses the same formalism and equations as the AM1 method. The only differences are:
1) PM3 uses two Gaussian functions for the core repulsion function, instead of the variable number used by AM1; 2) the numerical values of the parameters are different. The
brand slug:
wiki
category slug:
encyclopedia
description:
Method in computational chemistry
original url:
https://en.wikipedia.org/wiki/PM3_(chemistry)
date created:
date modified:
2022-10-05T19:54:50Z
main entity:
{"identifier":"Q7119715","url":"https://www.wikidata.org/entity/Q7119715"}
image:
{"content_url":"https://upload.wikimedia.org/wikipedia/commons/b/b5/Aplysin-Spartan-PM3-3D-balls.png","width":2150,"height":1618}
fields total:
13
integrity:
15