An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes.
Wang JN, Jin JL, Geng Y, Sun SL, Xu HL, Lu YH, Su ZM.
Wang JN, et al.
J Comput Chem. 2013 Mar 15;34(7):566-75. doi: 10.1002/jcc.23168. Epub 2012 Nov 1.
J Comput Chem. 2013.
PMID: 23115129
Recently, the extreme learning machine neural network (ELMNN) as a valid computing method has been proposed to predict the nonlinear optical property successfully (Wang et al., J. Comput. Chem. 2012, 33, 231). In this work, first, we follow this line of work to pred …
Recently, the extreme learning machine neural network (ELMNN) as a valid computing method has been proposed to predict the nonlinear optical …