scholarly journals Theoretical Investigation of Solvent Effects on the Hydrodeoxygenation of Propionic Acid over a Ni(111) Catalyst Model

2020 ◽  
Vol 124 (30) ◽  
pp. 16488-16500 ◽  
Author(s):  
Mehdi Zare ◽  
Rajadurai Vijay Solomon ◽  
Wenqiang Yang ◽  
Adam Yonge ◽  
Andreas Heyden
Keyword(s):  
Propionic Acid ◽  
Theoretical Investigation ◽  
Solvent Effects ◽  
Catalyst Model

Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex

2010 ◽  
Vol 6 (6) ◽  
pp. 1783-1797 ◽  
Author(s):  
Hiroko Satoh ◽  
Halvor S. Hansen ◽  
Shino Manabe ◽  
Wilfred F. van Gunsteren ◽  
Philippe H. Hünenberger
Keyword(s):  
Theoretical Investigation ◽  
Solvent Effects

The theoretical investigation of solvent effects on the relative stability and 15N NMR shielding of antidepressant heterocyclic drug

2015 ◽  
Vol 90 (1) ◽  
pp. 130-135 ◽  
Author(s):  
Arezoo Tahan ◽  
Mahya Khojandi ◽  
Ali Akbar Salari
Keyword(s):  
Theoretical Investigation ◽  
Solvent Effects ◽  
Relative Stability ◽  
15N Nmr

scholarly journals Solvent effects in the liquid phase hydrodeoxygenation of methyl propionate over a Pd(1 1 1) catalyst model

2016 ◽  
Vol 333 ◽  
pp. 171-183 ◽  
Author(s):  
Sina Behtash ◽  
Jianmin Lu ◽  
Eric Walker ◽  
Osman Mamun ◽  
Andreas Heyden
Keyword(s):  
Liquid Phase ◽  
Solvent Effects ◽  
Methyl Propionate ◽  
Catalyst Model

Theoretical investigation of solvent effects on the selective hydrogenation of furfural over Pt(111)

2021 ◽  
Vol 46 (2) ◽  
pp. 1592-1604
Author(s):  
Jian Wang ◽  
Cun-Qin Lv ◽  
Jian-Hong Liu ◽  
Rong-Rong Ren ◽  
Gui-Chang Wang
Keyword(s):  
Theoretical Investigation ◽  
Solvent Effects ◽  
Selective Hydrogenation

Spectroscopic and theoretical investigation of the solvent effects on Al(III)–hydroxyflavone complexes

Polyhedron ◽  
2008 ◽  
Vol 27 (6) ◽  
pp. 1581-1590 ◽  
Author(s):  
Laëtitia Dangleterre ◽  
Jean-Paul Cornard ◽  
Christine Lapouge
Keyword(s):  
Theoretical Investigation ◽  
Solvent Effects

Theoretical investigation of the electronic spectra of aromatic nitrosooxides with allowance for solvent effects

2006 ◽  
Vol 47 (6) ◽  
pp. 1051-1058 ◽  
Author(s):  
M. R. Talipov ◽  
A. B. Ryzhkov ◽  
S. L. Hursan ◽  
R. L. Safiullin
Keyword(s):  
Theoretical Investigation ◽  
Solvent Effects ◽  
Electronic Spectra

Theoretical Investigation of Positional Substitution and Solvent Effects on n-Cyanoindole Fluorescent Probes

2019 ◽  
Vol 123 (34) ◽  
pp. 7424-7435
Author(s):  
Salsabil Abou-Hatab ◽  
Spiridoula Matsika
Keyword(s):  
Theoretical Investigation ◽  
Fluorescent Probes ◽  
Solvent Effects
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