A Promising Tool to Achieve Chemical Accuracy for Density Functional Theory Calculations on Y-NO Homolysis Bond Dissociation Energies.docVIP

Int. J. Mol. Sci. 2012, 13, 8051-8070; doi:10.3390/ijmOPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Article A Promising Tool to Achieve Chemical Accuracy for Density Functional Theory Calculations on Y-NO Homolysis Bond Dissociation Energies Hong Zhi Li 1,2, Li Hong Hu 1,*, Wei Tao 3, Ting Gao 1, Hui Li 1, Ying Hua Lu 1,* and Zhong Min Su 3,* 1 School of Computer Science and Information Technology, Northeast Normal University, Changchun 130017, China; E-Mails: lihz857@ (H.Z.L.); gaot080@ (T.G.); lihui@ (H.L.) 2 School of Life Sciences, N