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Volumn 104, Issue 43, 2000, Pages 9663-9665

Charge flow and solvent dynamics in the photodissociation of solvated molecular ions

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONS; IONS; QUENCHING; ULTRAVIOLET RADIATION;

EID: 0034322639     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0019916     Document Type: Article
Times cited : (33)

References (84)
  • 29
  • 64
    • 0002627110 scopus 로고
    • Allen, M. P.; Tildesley, D. J., Eds.; Kluwer: Dordrecht
    • Coker, D. F. In Computer Simulation in Chemical Physics; Allen, M. P.; Tildesley, D. J., Eds.; Kluwer: Dordrecht, 1993; pp 315-377.
    • (1993) Computer Simulation in Chemical Physics , pp. 315-377
    • Coker, D.F.1
  • 77
    • 33645945206 scopus 로고    scopus 로고
    • note
    • The electronic coupling matrix elements in the Case (c) representation are linear combinations of the Case (a) matrix elements, which can be thought of as arising from atomic p Orbitals that have been tilted away from the internuclear axis by angles of 30, 60, and 90°.
  • 78
    • 33645950687 scopus 로고    scopus 로고
    • note
    • Since the spin degrees of freedom have now been included in the electronic structure, each of these six states is itself doubly degenerate by Kramers' Theorem and the dimension of the state space is actually twelve. This Kramers duplicity is rigorously preserved by all interactions within the system, so it plays no role in the interpretation of the dynamics and for the purposes of our discussion can be neglected.
  • 79
    • 33645956460 scopus 로고    scopus 로고
    • note
    • Strictly speaking, these are not true adiabats because they are not eigenvalues of the full 6 × 6 electronic Hamiltonian matrix, but only of the 2 × 2 blocks corresponding to pairs of diabats that cross at Δφ = 0. As a result these curves cross at large Δ;φ; in the true adiabats these crossings are avoided. We may regard them as belonging to an intermediate representation which exactly diagonalizes the electronic Hamiltonian only at Δφ = 0 but approximately diagonalizes it everywhere away from the large Δφ crossings.
  • 80
    • 0011470235 scopus 로고
    • Pitts, J. N., Jr., Hammond, G. S., Noyes, W. A., Jr., Eds.; Wiley-Interscience: New York
    • Husain, D.; Donovan, R. J. In Advances in Photochemistry; Pitts, J. N., Jr., Hammond, G. S., Noyes, W. A., Jr., Eds.; Wiley-Interscience: New York, 1971; Vol. 8, pp 1-75.
    • (1971) Advances in Photochemistry , vol.8 , pp. 1-75
    • Husain, D.1    Donovan, R.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.