Selected ATcT [1, 2] enthalpy of formation based on version 1.122o of the Thermochemical Network [3]This version of ATcT results was generated from an expansion of version 1.122h [4] to include the ionization energy of H_{2}O_{2}. [5]. 

 
Representative Geometry of [BrNC]+ (g)  
spin ON spin OFF  
Top contributors to the provenance of Δ_{f}H° of [BrNC]+ (g)The 6 contributors listed below account for 92.6% of the provenance of Δ_{f}H° of [BrNC]+ (g).Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.  
 
Top 10 species with enthalpies of formation correlated to the Δ_{f}H° of [BrNC]+ (g)  
Please note: The correlation coefficients are obtained by renormalizing the offdiagonal elements of the covariance matrix by the corresponding variances. The correlation coefficient is a number from 1 to 1, with 1 representing perfectly correlated species, 1 representing perfectly anticorrelated species, and 0 representing perfectly uncorrelated species.  
 
Most Influential reactions involving [BrNC]+ (g)Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.  
 


References  




Formula  
The aggregate state is given in parentheses following the formula, such as: g  gasphase, cr  crystal, l  liquid, etc.  


Uncertainties  
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6]). Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.000_{5} kJ/mol. 



Website Functionality Credits  
The reorganization of the website was developed and implemented by David H. Bross (ANL). The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN. The molecule images are rendered by Indigodepict. The XYZ renderings are based on Jmol: an opensource Java viewer for chemical structures in 3D. http://www.jmol.org/. 



Acknowledgement  
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DEAC0206CH11357. 