Thermochemical properties of the lithium cluster Li5

1989 ◽  
Vol 91 (1) ◽  
pp. 546-551 ◽  
Author(s):  
C. H. Wu
Keyword(s):  
Thermochemical Properties ◽  
Lithium Cluster

Ideal–Gas Thermochemical Properties for Alkanolamine and Related Species Involved in Carbon Capture Applications

2020 ◽  
Author(s):  
Nayyereh hatefi ◽  
William Smith
Keyword(s):  
Heat Capacity ◽  
Electronic Structure ◽  
Co2 Capture ◽  
Carbon Capture ◽  
Ideal Gas ◽  
Thermochemical Properties ◽  
Temperature Range ◽  
Comparison Results ◽  
Electronic Structure Methods ◽  
Protonated Forms

<div>Ideal{gas thermochemical properties (enthalpy, entropy, Gibbs energy, and heat capacity, Cp) of 49 alkanolamines potentially suitable for CO2 capture applications and their carbamate and protonated forms were calculated using two high{order electronic structure methods, G4 and G3B3 (or G3//B3LYP). We also calculate for comparison results from the commonly used B3LYP/aug-cc-pVTZ method. This data is useful for the construction of molecular{based thermodynamic models of CO2 capture processes involving these species. The Cp data for each species over the temperature range 200 K{1500 K is presented as functions of temperature in the form of NASA seven-term polynomial expressions, permitting the set of thermochemical properties to be calculated over this temperature range. The accuracy of the G3B3 and G4 results is estimated to be 1 kcal/mol and the B3LYP/aug-cc-pVTZ results are of nferior quality..</div>

Research for the thermochemical properties of the formation reaction of 2-chloroethylideneaminocarbamic acid ethylester

2001 ◽  
Vol 375 (1-2) ◽  
pp. 131-134
Author(s):  
Xiao Hong Sun ◽  
Sheng Li Gao ◽  
Yuan Fa Liu ◽  
XiaoYu Zhang
Keyword(s):  
Thermochemical Properties ◽  
Formation Reaction ◽  
Acid Ethylester

Thermochemical properties of gaseous Li3O and Li2O2

1979 ◽  
Vol 70 (4) ◽  
pp. 1815-1820 ◽  
Author(s):  
C. H. Wu ◽  
H. Kudoa) ◽  
H. R. Ihle
Keyword(s):  
Thermochemical Properties
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