@article{paperid:1047079, author = {Izadyar, Mohammad and Balgerdi, Rahim and Pourayoubi, Mehrdad}, title = {A combined quantum mechanics and molecular mechanics study on nitrogen oxide adsorption/ dissociation on a tungsten oxide surface}, journal = {Progress In Reaction Kinetics And Mechanism}, year = {2015}, volume = {40}, number = {2}, month = {April}, issn = {1468-6783}, pages = {128--142}, numpages = {14}, keywords = {natural bond orbital; density functional theory; activation energy; surface; adsorption}, }