List of Articles LUMO energy gap Open Access Article Abstract Page Full-Text 1 - The structural properties of boron and nitrogen adsorption on benzene molecule: a density functional study Samaneh S. Hoseini Edris Faizabadi 10.1007/s40094-015-0167-7 Open Access Article Abstract Page Full-Text 2 - IR spectroscopic study and DFT calculations on dibenzyltin dichloride Leile Rahimi Ahar Moayad Hossaini Sadr Karim Zare Samad Motameni Tabatabei Open Access Article Abstract Page Full-Text 3 - Density Functional Theory studies of purine bases adenine and guanine Leile Rahimi Ahar Zahra Javanshir Open Access Article Abstract Page Full-Text 4 - Density Functional Theory studies of heterocyclic compounds furan and pyrrole Leili Rahimi Zahra Javanshir