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Enthalpy of Formation of N2H4 (Hydrazine) Revisited.
Feller D, Bross DH, Ruscic B. Feller D, et al. J Phys Chem A. 2017 Aug 17;121(32):6187-6198. doi: 10.1021/acs.jpca.7b06017. Epub 2017 Aug 4. J Phys Chem A. 2017. PMID: 28727457
Sub 20 cm-1 computational prediction of the CH bond energy - a case of systematic error in computational thermochemistry.
Thorpe JH, Feller D, Bross DH, Ruscic B, Stanton JF. Thorpe JH, et al. Among authors: feller d. Phys Chem Chem Phys. 2023 Aug 16;25(32):21162-21172. doi: 10.1039/d2cp03964h. Phys Chem Chem Phys. 2023. PMID: 36200428
The bond dissociation energy of methylidyne, D(0)(CH), is studied using an improved version of the High-Accuracy Extrapolated ab initio Thermochemistry (HEAT) approach as well as the Feller-Peterson-Dixon (FPD) model chemistry. ...Finally, the current theoretical re …
The bond dissociation energy of methylidyne, D(0)(CH), is studied using an improved version of the High-Accuracy Extrapolated ab init …
326 results