Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Zero point vibrational energy methods

The influence of the reaction enthalpy on the activation energy can be estimated using the IPM method (see Chapter 6). The parameters of free radical reactions with phenols are collected in Table 15.2. They are different for sterically nonhindered (AriOH) and sterically hindered (Ar2OH) phenols. The values of coefficients a, b, and zero-point vibration energy of the phenolic O—H bond are the following a = 1.014, b = 4.665 x 1011 (kJ mol )l/2 m 1, and 0.5ALy = 21.5 kJ mol-1 [33],... [Pg.514]

See other pages where Zero point vibrational energy methods is mentioned: [Pg.322]    [Pg.150]    [Pg.175]    [Pg.244]    [Pg.248]    [Pg.163]    [Pg.130]    [Pg.68]    [Pg.130]    [Pg.68]    [Pg.17]    [Pg.160]    [Pg.484]    [Pg.147]    [Pg.322]    [Pg.214]    [Pg.322]    [Pg.134]    [Pg.159]    [Pg.230]    [Pg.234]    [Pg.335]    [Pg.151]    [Pg.407]    [Pg.12]    [Pg.404]    [Pg.497]    [Pg.130]    [Pg.1176]    [Pg.277]    [Pg.64]    [Pg.123]    [Pg.576]    [Pg.216]    [Pg.217]    [Pg.891]    [Pg.80]    [Pg.89]    [Pg.3]    [Pg.221]    [Pg.378]    [Pg.80]    [Pg.64]    [Pg.225]    [Pg.269]    [Pg.170]    [Pg.144]    [Pg.126]    [Pg.291]   
See also in sourсe #XX -- [ Pg.39 ]



SEARCH



Energy methods

Energy vibrational

Point method

Vibration energy

Vibrational energy, zero-point

Zero energy

Zero point

Zero vibration

Zero-Point Method

Zero-point energy

© 2024 chempedia.info