@article{paperid:1047553, author = {Hozhabr Araghi, Samira and Entezari, Mohammad Hassan and Sadeghi Googheri, Mohammadsadegh}, title = {Configurational study of amino-functionalized silica surfaces: A density functional theory modeling}, journal = {Journal of Molecular Graphics and Modelling}, year = {2015}, volume = {59}, number = {3}, month = {June}, issn = {1093-3263}, pages = {21--30}, numpages = {9}, keywords = {Amino-functionalized silica; APTES; Hydrolyzed forms; DFT; NBO; AIM}, }