Functional Methods for Quantifying Agonists and Antagonists

1998 ◽  
pp. 43-48
Keyword(s):  
Functional Methods

Comments on Plasma Fibrinogen Levels Measured by Functional Methods

1994 ◽  
Vol 72 (06) ◽  
pp. 985-985 ◽  
Author(s):  
Boguslaw Lipinski ◽  
Scott Federman ◽  
Andrzej S Krolewski
Keyword(s):  
Plasma Fibrinogen ◽  
Functional Methods

scholarly journals Numerical Solution of the Spinor-Spinor Bethe-Salpeter Equation in Functional Nonlinear Spinor Theory

1975 ◽  
Vol 30 (5) ◽  
pp. 656-671
Author(s):  
W. Bauhoff
Keyword(s):  
Angular Momentum ◽  
Excited State ◽  
Variational Method ◽  
Numerical Solution ◽  
High Precision ◽  
Nonlinear Spinor ◽  
Spinor Theory ◽  
First Order ◽  
Scalar Mesons ◽  
Functional Methods

AbstractThe mass eigenvalue equation for mesons in nonlinear spinor theory is derived by functional methods. In second order it leads to a spinorial Bethe-Salpeter equation. This is solved by a variational method with high precision for arbitrary angular momentum. The results for scalar mesons show a shift of the first order results, obtained earlier. The agreement with experiment is improved thereby. An excited state corresponding to the η' is found. A calculation of a Regge trajectory is included,too.

Substituent effect on N–H bond dissociation enthalpies of carbamates: a theoretical study

2015 ◽  
Vol 93 (3) ◽  
pp. 279-288 ◽  
Author(s):  
Rupinder preet Kaur ◽  
Damanjit Kaur ◽  
Ritika Sharma
Keyword(s):  
Substituent Effect ◽  
Density Functional ◽  
Theoretical Study ◽  
Natural Bond Orbital ◽  
Stabilization Energy ◽  
Isodesmic Reactions ◽  
Bond Dissociation ◽  
Density Functional Methods ◽  
Functional Methods ◽  
Orbital Analysis

The present investigation deals with the study of the N–H bond dissociation enthalpies (BDEs) of the Y-substituted (NH2-C(=X)Y-R) and N-substituted ((R)(H)NC(=X)YH) carbamates (X, Y = O, S, Se; R = H, CH3, F, Cl, NH2), which have been evaluated using ab initio and density functional methods. The variations in N−H BDEs of these Y-substituted and N-substituted carbamates as the effect of substituent have been understood in terms of molecule stabilization energy (ME) and radical stabilization energy (RE), which have been calculated using the isodesmic reactions. The natural bond orbital analysis indicated that the electrodelocalization of the lone pairs of heteroatoms in the molecules and radicals affect the ME and RE values depending upon the type and site of substitution (whether N- or Y-). The variations in N−H BDEs depend upon the combined effect of molecule stabilization and radical stabilization by the various substituents.

TIME DEPENDENT DENSITY FUNCTIONAL METHODS AND THEIR APPLICATION TO CHEMICAL PHYSICS

2004 ◽  
Vol 03 (01) ◽  
pp. 117-144 ◽  
Author(s):  
AKIRA YOSHIMORI
Keyword(s):  
Density Functional ◽  
Nonlinear Effects ◽  
Functional Method ◽  
Time Dependent ◽  
Solvation Dynamics ◽  
Chemical Physics ◽  
Functional Theory ◽  
Polar Liquids ◽  
Density Functional Methods ◽  
Functional Methods

This article reviews microscopic development of time dependent functional method and its application to chemical physics. It begins with the formulation of density functional theory. The time dependent extension is discussed after the equilibrium formulation. Its application is explained by solvation dynamics. In addition, it reviews studies of nonlinear effects on polar liquids and simple mixtures.

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