Additive bond-energy scheme with geminal H-H terms Applications to the enthalpies of formation of alkane derivatives

1997 ◽  
Vol 93 (11) ◽  
pp. 2037-2041 ◽  
Author(s):  
Derek W. Smith
Keyword(s):  
Bond Energy ◽  
Enthalpies Of Formation

Room-temperature NaI/H2O compression icing: solute–solute interactions

2017 ◽  
Vol 19 (39) ◽  
pp. 26645-26650 ◽  
Author(s):  
Qingxin Zeng ◽  
Chuang Yao ◽  
Kai Wang ◽  
Chang Q. Sun ◽  
Bo Zou
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Bond Energy ◽  
Room Temperature ◽  
Solute Concentration ◽  
Solute Interaction ◽  
Solute Interactions

H–O bond energy governs the PCx for Na/H2O liquid–VI–VII phase transition. Solute concentration affects the path of phase transitions differently with the solute type. Solute–solute interaction lessens the PC2 sensitivity to compression. The PC1 goes along the liquid–VI boundary till the triple phase joint.

A combined study of thermodynamic and first-principle calculation for single bond energy of Cu clusters

2019 ◽  
Vol 125 (9) ◽  
pp. 094302
Author(s):  
H. Li ◽  
H. N. Du ◽  
X. W. He ◽  
Y. Y. Shen ◽  
H. X. Zhang ◽  
...  
Keyword(s):  
Bond Energy ◽  
First Principle ◽  
Single Bond ◽  
Principle Calculation ◽  
First Principle Calculation

Decomposition channels of chemically activated disilane. The .pi. bond energy of disilene and its derivatives

1984 ◽  
Vol 3 (8) ◽  
pp. 1267-1272 ◽  
Author(s):  
G. Olbrich ◽  
P. Potzinger ◽  
B. Reimann ◽  
R. Walsh
Keyword(s):  
Bond Energy
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