Heat Capacity and Bond Dissociation Energy Calculations of Some Fluorinated Ethanol’s and its Radicals: CH<sub>3-x</sub>CH<sub>2</sub>F<sub>x</sub>OH, CH<sub>3</sub>CH<sub>2-x</sub>F<sub>x</sub>OH
Heat Capacity and Bond Dissociation Energy Calculations of Some Fluorinated Ethanol’s and its Radicals: CH<sub>3-x</sub>CH<sub>2</sub>F<sub>x</sub>OH, CH<sub>3</sub>CH<sub>2-x</sub>F<sub>x</sub>OH作者机构：Department of Chemistry and Environmental Science New Jersey Institute of Technology Newark New Jersey USA
出 版 物：《Open Journal of Physical Chemistry》 (物理化学期刊（英文）)
年 卷 期：2021年第11卷第2期
页 面：13-53页
学科分类：07[理学] 0701[理学-数学] 070101[理学-基础数学]
主 题：Thermo-Chemistry Enthalpy Fluorinated Ethanol’s Thermochemical Properties
摘 要：Structures and thermochemical properties of these species were determined by the gaussian M-062x/6-31 + g (d, p) calculation enthalpies of formation for 19 fluorinated ethanol and some radicals were calculated with a popular Ab initio and density functional theory methods: The gaussian M-062x/6-31+ g (d, p) via several series of isodesmic reactions. Entropies (S298°K/span
维普期刊数据库