Theoretical Study of the Substituent and Solvent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Tyrosol Derivatives

2013 ◽  
Vol 86 (4) ◽  
pp. 497-509 ◽  
Author(s):  
Meysam Najafi ◽  
Mohammad Najafi ◽  
Houshang Najafi
Keyword(s):  
Solvent Effects ◽  
Theoretical Study ◽  
Antioxidant Mechanisms

Theoretical study of solvent effects on the decomposition of formic acid over a Co(111) surface

2017 ◽  
Vol 42 (39) ◽  
pp. 24726-24736 ◽  
Author(s):  
Xinbao Li ◽  
Yingying Zhu ◽  
Geng Chen ◽  
Guohua Yang ◽  
Zan Wu ◽  
...  
Keyword(s):  
Formic Acid ◽  
Solvent Effects ◽  
Theoretical Study

Solvent effects on the geometry, electronic structure, and bonding style of Zn(N 5 ) 2 : A theoretical study

2019 ◽  
Vol 67 (2) ◽  
pp. 235-241 ◽  
Author(s):  
Zhiyuan Ding ◽  
Pin Gao ◽  
Ming Lu ◽  
Guixiang Wang ◽  
Xuedong Gong
Keyword(s):  
Electronic Structure ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Structure And Bonding

Theoretical Study of Solvent Effects on the Helical Inversion of ortho-Phenylene Derivatives

2018 ◽  
Vol 47 (4) ◽  
pp. 487-489 ◽  
Author(s):  
Azusa Muraoka ◽  
Hirone Kiwaki
Keyword(s):  
Solvent Effects ◽  
Theoretical Study

A direct experimental and theoretical study of solvent effects on the equilibrium between trans cis and trans trans 1,2-dibromo-4-t-butylcyclohexane

1981 ◽  
Vol 22 (51) ◽  
pp. 5183-5186 ◽  
Author(s):  
Michael H. Abraham ◽  
Luigi E. Xodo ◽  
Raymond J. Abraham ◽  
Michael J. Cook
Keyword(s):  
Solvent Effects ◽  
Theoretical Study ◽  
Cis And Trans

A theoretical study of the solvent effects in ethylene oxide: Hydrofluoric acid complex using continuum and new discrete models

2007 ◽  
Vol 802 (1-3) ◽  
pp. 91-97 ◽  
Author(s):  
B.G. Oliveira ◽  
R.C.M.U. Araújo ◽  
A.B. Carvalho ◽  
M.N. Ramos ◽  
M.Z. Hernandes ◽  
...  
Keyword(s):  
Ethylene Oxide ◽  
Solvent Effects ◽  
Hydrofluoric Acid ◽  
Theoretical Study ◽  
Discrete Models ◽  
Acid Complex

Theoretical study of solvent effects on the conformational equilibrium and electronic spectra of 2,2′-bipyridine derivatives

2007 ◽  
Vol 811 (1-3) ◽  
pp. 169-174 ◽  
Author(s):  
Catherine Blanchet-Boiteux ◽  
Pascale Friant-Michel ◽  
Alain Marsura ◽  
Jean-Bernard Regnouf-de-Vains ◽  
Manuel F. Ruiz-López
Keyword(s):  
Solvent Effects ◽  
Electronic Spectra ◽  
Conformational Equilibrium ◽  
Theoretical Study
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