The NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage

Subject Areas : Journal of Physical & Theoretical Chemistry

Mahdi Rezaei Sameti ¹ , Zamanian F. ²

1 - Department of Applied Chemistry, Faculty of Science, Malayer University, Malayer, 65174, Iran
2 - Department of Applied Chemistry, Faculty of Science, Malayer University, Malayer, 65174, Iran

Received: 2019-12-06 Accepted : 2020-06-29 Published : 2019-07-01

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