Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments. Formula: C3H3NS. Introducing a new discovery about 288-16-4, Name is Isothiazole
Survey of main group compounds (hbr) at the gaussian-4 level of theory: Adiabatic ionization energies and enthalpies of formation
Gas phase adiabatic ionization energies (AIEs) and standard state (298.15. K, 1. atm) enthalpies of formation DeltafH(g) were calculated at the Gaussian-4 (G4) level of theory for a suite of 319 and 398 main group compounds, respectively, containing the elements hydrogen through bromine. National Institute of Standards and Technology (NIST) evaluated AIEs were available for comparison with 44 compounds, yielding good agreement when the significant variability among the individual experimental reports was taken into consideration. AIEs were estimated at the G4 level of theory for a further 126 main group compounds having at least one experimental datapoint in the NIST database, but not a NIST evaluated AIE, as well as 149 main group compounds without any experimental data in the NIST database. Experimental DeltafH(g) were available for comparison with 144 compounds, yielding good agreement, particularly against compounds with evaluated DeltafH(g) DeltafH(g) were estimated at the G4 level of theory for a further 254 main group compounds without any experimental data. The datasets comprise a benchmark set of theoretical data against which to assess future experimental and theoretical results.
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.Formula: C3H3NS, you can also check out more blogs about288-16-4
Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com