TY - JOUR T1 - Evaluation of reaction thermochemistry using DFT calculated molecular properties: application to trans-HONO (X¹A') à HO(X²P) + NO(X²P) JO - Journal of the Brazilian Chemical Society A1 - Bauerfeldt, Glauco F. A1 - Arbilla, Graciela A1 - Silva, Edilson C. da SN - 0103-5053 UL - 10.1590/S0103-50532005000200010 VL - 16 Y1 - 2005 PB - Brasil ER -