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Molecular Simulation Volume 40, 2014 - Issue 14
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MP2, DFT and DFT-D study of the dimers of diazanaphthalenes: a comparative study of their structures, stabilisation and binding energies

Mwadham M. KabandaMaterial Science Innovation and Modelling (MaSIM) Research Focus Area, Faculty of Agriculture, Science and Technology, North-West University (Mafikeng Campus), Private Bag X2046, Mmabatho2735, South AfricaCorrespondence[email protected]
&
Eno E. EbensoMaterial Science Innovation and Modelling (MaSIM) Research Focus Area, Faculty of Agriculture, Science and Technology, North-West University (Mafikeng Campus), Private Bag X2046, Mmabatho2735, South Africa
Pages 1131-1146 | Received 21 Jun 2013, Accepted 27 Sep 2013, Published online: 13 Jan 2014

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