Chemical equilibria. Part 2.—Dehydrogenation of propanol and butanol

1967 ◽  
Vol 63 (0) ◽  
pp. 895-901 ◽  
Author(s):  
E. Buckley ◽  
J. D. Cox
Keyword(s):  
Chemical Equilibria

scholarly journals NMR of Natural Products as Potential Drugs

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3763
Author(s):  
Poul Erik Hansen
Keyword(s):  
Natural Products ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Density Functional Theory Calculations ◽  
Intramolecular Hydrogen Bonding ◽  
Chemical Equilibria ◽  
Nmr Techniques ◽  
Intramolecular Hydrogen

This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.

Modelling and Experimental Studies of Sorption in the Near Field of a Cementitious Repository

1989 ◽  
Vol 176 ◽  
Author(s):  
P.L. Brown ◽  
A. Haworth ◽  
R. McCrohon ◽  
S.M. Sharland ◽  
C.J. Tweed
Keyword(s):  
Near Field ◽  
Experimental Studies ◽  
Mass Action ◽  
Chemical Equilibria ◽  
Transport Code ◽  
Mass Action Model ◽  
Action Model ◽  
Modelling Studies ◽  
Simple Mass

ABSTRACTA joint experimental and modelling programme is reported, which aims to improve our understanding of sorption processes of radionuclides onto repository materials. Diffusion/sorption experiments of sorption onto cement are described, although results are limited at this stage. The modelling studies use the coupled chemical equilibria and transport code CHEQMATE to simulate some of these experiments. The chemical part of the model is based on a simple mass-action model of sorption. More detailed comparisons will continue when the experiments are terminated, and the samples are sectioned.

Characterization of saline aqueous solutions upwelling under Ceres' surface: a focus on chemical equilibria in the H2O-CO2-NaCl supply ascent system

2019 ◽  
Author(s):  
Maria PEDONE ◽  
Eleonora Ammannito ◽  
Christina Plainaki ◽  
Maria Cristina De Sanctis ◽  
Andrea Raponi ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Chemical Equilibria

Shifting Chemical Equilibria in Flow-Efficient Decarbonylation Driven by Annular Flow Regimes

2014 ◽  
Vol 126 (43) ◽  
pp. 11741-11745 ◽  
Author(s):  
Bernhard Gutmann ◽  
Petteri Elsner ◽  
Toma Glasnov ◽  
Dominique M. Roberge ◽  
C. Oliver Kappe
Keyword(s):  
Annular Flow ◽  
Flow Regimes ◽  
Chemical Equilibria

scholarly journals Another Way to Solve Complex Chemical Equilibria

1990 ◽  
Vol 38 (2) ◽  
pp. 355-358 ◽  
Author(s):  
Daniel P. Heyman
Keyword(s):  
Chemical Equilibria ◽  
Complex Chemical

Regulation of bacterial abstraction of lead by cell surface charge and chemical equilibria

Chemosphere ◽  
1980 ◽  
Vol 9 (1) ◽  
pp. 21-31 ◽  
Author(s):  
Christopher L. Haber ◽  
Thomas G. Tornabene ◽  
R.K. Skogerboe
Keyword(s):  
Cell Surface ◽  
Surface Charge ◽  
Chemical Equilibria ◽  
Cell Surface Charge
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