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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 57 (1980), S. 81-94 
    ISSN: 1432-2234
    Keywords: Minimum principle ; Intrinsic reaction coordinate (IRC) approach ; Geodesic law ; Intrinsic principle of least action
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Minimum principles of chemical reaction coordinates are established. IRC (intrinsic reaction coordinate) draws the path of minimum distance from reactant to product. The distance is measured in the rigged configuration Riemannian space whose metric is determined by the distribution of the adiabatic potential energy. Moreover, minimum property of the intrinsic principle of least action is established for the intrinsic dynamism of chemical reaction. Minimum principle of the path connecting intercell boundary with cell is also discussed.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 51 (1979), S. 275-296 
    ISSN: 1432-2234
    Keywords: Intrinsic field theory ; Intrinsic reaction coordinate (IRC) approach ; Intrinsic principle of least action ; Geodesic law ; Structural stability ; Dynamical potential field
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An intrinsic principle of least action is presented for the intrinsic dynamism of chemical reactions. Then, as the stationary trajectory, a meta-IRC (intrinsic reaction coordinate) draws a geodesic curve in a rigged Riemannian space. This establishes a geodesic law for the intrinsic dynamism. Moreover, a diagrammatic perturbation theory is formulated for the intrinsic dynamism, and a dynamical interaction between a chemically reacting system and a background system is investigated. Then, the structural stability of the system is discussed using a new concept of the dynamical potential field. An example is given in order to elucidate the present theory.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0020-7608
    Keywords: linear operator ; *-algebra ; general topology ; asymptotic analysis ; chemical network systems ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Part IV of this series consists of two complementary subparts devoted to attain the following two goals: (i) By shifting from the previous setting of the Banach algebra B(B)=B(B, B) to a broader setting of the space B(X, B) of all bounded linear operators from a normed space X to a Banach space B, we extend our previous theoretical framework to incorporate part of the theory of additive correlation involving the Asymptotic Linearity Theorems, which have been developed for a study of correlation between structure and properties in molecules having many identical moieties, especially in macromolecules having repeating units. (ii) By reverting our focus to the special algebra B(H) with H being a Hilbert space, we develop a theorem which is useful for a structural analysis of spectral symmetry of linear operators representing physico-chemical network systems.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 67: 57-69, 1998
    Type of Medium: Electronic Resource
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