Keywords = Density Functional Theory
Number of Articles: 13
1. The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB

Volume 7, Issue 3, Summer 2020, Pages 184-194

10.22034/ijnc.2020.38406

S. Sepehr Uroomiye; Neda Hajizadeh; Helen Aazh


2. Quetiapine Adsorption on the Surface of Boron Nitride Nanocage (B12N12): A Computational Study

Volume 7, Issue 2, Spring 2020, Pages 87-100

10.22034/ijnc.2020.37794

Mohammad Reza Jalali Sarvestani; Maryam Gholizadeh Arashti; Betty Mohasseb


12. A DFT Study of the Nuclear Magnetic Properties of Fullerenes

Volume 2, Issue 2, Spring 2015, Pages 41-49

10.22034/ijnc.2015.19606

Khadijeh Kalateh; Sara Kheirollahpoor


13. Ethyl Acetylene Adsorption on the Surface of a BN Nanotube: A Computational Study

Volume 1, Issue 2, Spring 2014, Pages 51-59

10.22034/ijnc.2014.9703

Maziar Noei; Ali Moalla; Fatemeh Meshkinnezhad