Conformational Analysis. XIII. On the Geometry of the Cycloöctane Ring. The Relative Stabilities of the 1,3-Dimethylcycloöctanes1,2

1961 ◽  
Vol 83 (7) ◽  
pp. 1664-1668 ◽  
Author(s):  
Norman L. Allinger ◽  
Shih-En Hu
Keyword(s):  
Conformational Analysis ◽  
Relative Stabilities

Effects of side chains in gas-phase amino acids: Conformational analysis and relative stabilities

2009 ◽  
Vol 901 (1-3) ◽  
pp. 81-87 ◽  
Author(s):  
Gang Yang ◽  
Lijun Zhou ◽  
Yuangang Zu ◽  
Yujie Fu ◽  
Rongxiu Zhu ◽  
...  
Keyword(s):  
Amino Acids ◽  
Conformational Analysis ◽  
Gas Phase ◽  
Side Chains ◽  
Relative Stabilities

Conformational analysis of diamide system HCO-L-Phenylalanine-NH2 by genetic algorithm

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Genetic Algorithm ◽  
Hydrogen Bonding ◽  
Conformational Analysis ◽  
Electrostatic Interactions ◽  
Main Chain ◽  
Empirical Method ◽  
Relative Stabilities ◽  
Semi Empirical

Present work reports a detailed conformational and energy study of diamide system HCO-L-Phenylalanine-NH2 using genetic algorithm based on multi-Niche crowding technique (MNC) coupled with semi-empirical method AM1. Analysis showed the existence of 28 conformations covering 6 folds among 9 predicted with multi-dimensional conformational analysis MDCA. The relative stabilities are discussed in terms of hydrogen bonding established within the main chains, and various other types of electrostatic interactions between the main chain and the side one.

Stereochemical studies. XI. Equilibria between δ-hydroxy-acids and δ-lactones in aqueous tetrahydrofuran. Relative stabilities of isomeric δ-lactones

1982 ◽  
Vol 60 (20) ◽  
pp. 2546-2553 ◽  
Author(s):  
John T. Edward ◽  
Ellen Cooke ◽  
Themistocles C. Paradellis
Keyword(s):  
Conformational Analysis ◽  
Hydroxy Acid ◽  
Equilibrium Constants ◽  
Methyl Groups ◽  
Hydroxy Acids ◽  
Relative Stabilities ◽  
Experimental Values ◽  
Hydrolysis Of

The equilibrium constants K′ for the hydrolysis of 13 δ-lactones to hydroxy-acids in 54% (mol/mol) aqueous tetrahydrofuran at 25 °C have been determined. The equilibrium constants for the isomerization of the five δ-lactones into their epimers, and for the isomerization of their hydroxy-acids into their epimers, have been calculated by the methods of conformational analysis. These calculated values are consistent with the experimental values of K′. Addition of methyl groups to a hydroxy-acid decreases K′ (the Thorpe–Ingold effect).

Conformational analysis. LIX. Relative stabilities of the cis- and trans-dimethylcyclohexanes

1968 ◽  
Vol 33 (2) ◽  
pp. 784-787 ◽  
Author(s):  
Norman L. Allinger ◽  
William Szkrybalo ◽  
Frederic A. Van Catledge
Keyword(s):  
Conformational Analysis ◽  
Relative Stabilities ◽  
Cis And Trans
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