A theoretical study of solvent effects on the conformational equilibria of neutral glycine in aqueous solution

2003 ◽  
Vol 623 (1-3) ◽  
pp. 203-210 ◽  
Author(s):  
F.R Tortonda ◽  
J.L Pascual-Ahuir ◽  
E Silla ◽  
I Tuñón
Keyword(s):  
Aqueous Solution ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Conformational Equilibria

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution

2019 ◽  
Vol 21 (7) ◽  
pp. 3644-3655 ◽  
Author(s):  
Franco Egidi ◽  
Tommaso Giovannini ◽  
Gianluca Del Frate ◽  
Paul M. Lemler ◽  
Patrick H. Vaccaro ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Experimental Study ◽  
Methyl Ether ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Optical Rotation ◽  
Classical Model ◽  
Optical Rotatory Dispersion ◽  
Rotatory Dispersion ◽  
Optical Rotatory

We present a theoretical-experimental study of the optical rotation of (R)-glycidylmethylether using a mixed quantum-classical model for solvent effects.

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

Why is glycine a zwitterion in aqueous solution? A theoretical study of solvent stabilising factors

1996 ◽  
Vol 260 (1-2) ◽  
pp. 21-26 ◽  
Author(s):  
F.R. Tortonda ◽  
J.L. Pascual-Ahuir ◽  
E. Silla ◽  
I. Tuñón
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study

scholarly journals Mechanism and theory of d-glucopyranose homogeneous acid catalysis in the aqueous solution phase

2019 ◽  
Vol 21 (32) ◽  
pp. 17993-18011 ◽  
Author(s):  
Manik Kumer Ghosh ◽  
Mícheál Séamus Howard ◽  
Karla Dussan ◽  
Stephen Dooley
Keyword(s):  
Aqueous Solution ◽  
Acid Hydrolysis ◽  
Acid Catalysis ◽  
Theoretical Study ◽  
Solution Phase ◽  
Homogeneous Acid ◽  
Hydrolysis Of

Theoretical study of the mechanism of acid hydrolysis of β-d-glucopyranose in the aqueous solution.

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
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