The spatial partitioning and transferability of molecular energies
β Scribed by R.F.W. Bader; P.M. Beddall
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 812 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
This note examines the question of the transferabiiity of the energy of a hnded fragment between _._ different molecules in terms of the transferability of the charge distribution. This is accomplished through a spatial partitioning of both the charge distribution and the energy of a molecular system;
π SIMILAR VOLUMES
The km&c energy released in near-thermal charge-transfer reactions of Ar\* and NC with NO, 0,. CO, H,O, N,O. CO, and NH, has been measured. The partitioning between kinetic and inlemal modes is found lo be very similar for mosl 01 the Ar+/N: pan-s. Tko hypotheses LO explain tis similarity are propos
By introducing the definition of the reciprocal basis vector, the unit operator can be established, allowing vectors and operators to be represented in matrix form, and the solution of equations can be reduced to a series of basis vector transformations. By using this method and discarding the const