By Michael Baer, Cheuk-Yiu Ng, Ilya Prigogine, Stuart A. Rice
Nonadiabatic Interactions among strength strength Surfaces: concept and functions (B. Lengsfield & D. Yarkony).
Diabatic capability strength Surfaces for Charge-Transfer methods (V. Sidis).
version power power Surfaces for Inelastic and Charge-Transfer strategies in Ion-Molecule Collision (F. Gianturco & F. Schneider).
Quantum-Mechanical remedy for Charge-Transfer procedures in Ion-Molecule Collisions (M. Baer).
Semiclassical method of Charge-Transfer tactics in Ion-Molecule Collisions (H. Nakamura).
The Semiclassical Time-Dependent method of Charge-Transfer techniques (E. Gislason, et al.).
The Classical Trajectory-Surface-Hopping method of Charge-Transfer tactics (S. Chapman).
Statistical points of Ion-Molecule Reactions (J. Troe).
Read or Download Advances in Chemical Physics: State-Selected and State-To-State Ion-Molecule Reaction Dynamics, Part 2, Theory, Volume 82 PDF
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Extra resources for Advances in Chemical Physics: State-Selected and State-To-State Ion-Molecule Reaction Dynamics, Part 2, Theory, Volume 82
On the Existence of Rigorous Diabatic Bases When nonadiabatic effects are large, as in the vicinity of actual surface crossings [see Eq. 44)], the adiabatic representation may be inconvenient for characterizing the nuclear dynamics. In this instance it is conceptually and computationally convenient to define a new electronic basis, the diabatic basis,93, 1 0 2 - - 1 0 5 y d,(r; R), which is a unitary transformation of the adiabatic electronic basis such that ( f;L'*d(R)= Y:(r; R)I & uIf(c; R ) ) r = 0.
The He + H2(X 'Xi)-+ He + H2(X'Ei) Reaction The captioned reaction has a long and controversial history. The original experimental studies of the quenching of H2(B 'Xu+)by helium were performed by Moore's group116*'17 in the early 1970s. This work motivated theoretical studies, which sought to explain the observed quenching in terms of (allowed) surface crossings. However, these attempts proved unsuccessful. "* found an avoided crossing for general C, approach. This finding was rationalized by Nicolaides and Z d e t s i ~ " in ~ terms of a concept they introduced termed maximum ionicity excited state (MIES) theory.
10. 0 44 BYRON H. LENGSFIELD 111 A N D DAVID R . YAKKONY Ref. 40 observable properties, such as the isotope dependence of r,(X 'C+), are considerably less sensitive to UL'(R)owing to the larger mass of lithium and smaller percentage change (compared to analogous changes for hydrogen) in mass when 'Li is replaced by 6Li. For R appreciably greater than r,(X 'Z') qualitative differences in the functional form of V " ( R ) are found. The UH(R)deduced by CHSV remains essentially a monotonically decreasing function of R, while that of BC begins to increase sharply (see Fig.
Advances in Chemical Physics: State-Selected and State-To-State Ion-Molecule Reaction Dynamics, Part 2, Theory, Volume 82 by Michael Baer, Cheuk-Yiu Ng, Ilya Prigogine, Stuart A. Rice