Authors:
Jitariu, LC
Wang, F
Hillier, IH
Pilling, MJ
Citation: Lc. Jitariu et al., Unimolecular decomposition of the n-C3H7 radical. Direct dynamics calculation of the thermal rate constant, PHYS CHEM P, 3(12), 2001, pp. 2459-2466
Citation: Lc. Jitariu et Dm. Hirst, Theoretical investigation of the N2O5 reversible arrow reversible arrow NO2+NO3 equilibrium by density functional theory and ab initio calculations, PCCP PHYS C, 2(4), 2000, pp. 847-852
Authors:
Jenkins, HDB
Jitariu, LC
Krossing, I
Passmore, J
Suontamo, R
Citation: Hdb. Jenkins et al., Basis set and correlation effects in the calculation of accurate gas phasedimerization energies of two M-2(+) to give M-4(2+) (M = S, Se), J COMPUT CH, 21(3), 2000, pp. 218-226
Citation: Lc. Jitariu et Dm. Hirst, Theoretical investigation of the potential energy surface for the reactionof NO3 with H, PCCP PHYS C, 1(6), 1999, pp. 983-987