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PM3 (chemistry)

Known as: PM 
PM3, or Parameterized Model number 3, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational… 
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Related topics

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19 relations
AMPACAustin Model 1Biochemical and Organic Simulation SystemCP2K

Papers overview

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2017
2017
Dynamics of antipolar distortions
Materials possessing antipolar cation motions are currently receiving a lot of attention because they are fundamentally… 
2013
2013
Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin
In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine… 
2012
2012
Local Oxygen-Vacancy Ordering and Twinned Octahedral Tilting Pattern in the Bi0.81Pb0.19FeO2.905 Cubic Perovskite
The structure of Bi0.81Pb0.19FeO2.905 was investigated on different length scales using a combination of electron diffraction… 
2006
2006
PARTICULATE POLYCYCLIC AROMATIC HYDROCARBONS IN URBAN AIR OF TEHRAN
Polycyclic Aromatic Hydrocarbons are ubiquitous in the urban atmosphere and one of the most atmospheric pollutants to be… 
2005
2005
LIGNIN IN THE RESTORATION OF THE CULTURAL HERITAGE
La restauracion y recuperacion de los bienes culturales es un campo desafiante para la aplicacion de las ciencias basicas, la… 
2000
2000
Hydroxyl groups in phosphosilicate glasses for fibre optics
1997
1997
On the Role of the Basis Set and Electron Correlation in the Description of Stacking Interactions
1996
1996
Semiempirical and spectroscopic study of the thermolysis of tetranitromethane
The thermolysis of tetranitromethane has been studied by the semiempirical methods AM1 and PM3 from the stable molecules to the… 
1994
1994
Theoretical study of gas-phase acid-base equilibria
The AMI and PM3 methods with the inclusion of a limited configuration interaction (Cl) approach were used to study the… 
1982
1982
SYMMETRY AND PHASE TRANSFORMATION
The symmetry properties are among the simplest deterministic principles which allow us to recognize equivalencies between… 
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