return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
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Recently added molecules

(CH3)2NH2+ AlGa Ar2+ AsCl AsS BGa
bibenzyl BP C10H22 C2H5NHC2H5 C3H7+ CF2CCl2
CF3COO- CFBr3 CFClCClF CFClCFCl CH2ClCH2OH CH2ClCH2OH2+
CH2FBr CH3CHOH CH3COCH2 CH3O+ CH3SH+ CH4-
CHFClBr ClCOClCO ClOF ClOF3 COH+ dcb12
dimethylselenide ethylamine, protonated FClO FNO2 FONO formic acid dimer
GaCl+ GaF+ GeF+ GeO+ H2CSH+ H2S2+
HN(C2H5)2 HNNO+ Li2CO3 LiCN MgSO4 N2H5+
NaAl NaK+ NF3H+ NH2NO2 NH3BF3 NNOH+
NOH NOH+ NSe O3H+ P(CH3)3 pf5 barrier
PF6 PH4+ PSe pyrrole, alpha-protonated pyrrole, protonated SeO2+
SF5+ SiH3Br SO2H+ Triphenylmethane V+ VO