@article{paperid:1061762, author = {Abdollahi, Farkhonde and Razmkhah, Mohammad and Moosavi, Fatemeh}, title = {The role of hydrogen bond interaction on molecular orientation of alkanolamines through temperature and pressure variation: A mixed molecular dynamics and quantum mechanics study}, journal = {Computational Materials Science}, year = {2017}, volume = {131}, number = {3}, month = {February}, issn = {0927-0256}, pages = {239--249}, numpages = {10}, keywords = {Alkanolamine; Cluster number; Diffusion coefficient; Hydrogen bond; Molecular dynamics simulation; Molecular orientation}, }