Authors:
Basch, H
Musaev, DG
Morokuma, K
Fryzuk, MD
Love, JB
Seidel, WW
Albinati, A
Koetzle, TF
Klooster, WT
Mason, SA
Eckert, J
Citation: H. Basch et al., Theoretical predictions and single-crystal neutron diffraction and inelastic neutron scattering studies on the reaction of dihydrogen with the dinuclear dinitrogen complex of zirconium [P2N2]Zr(mu-eta(2)-N-2)Zr[P2N2], P2N2=PhP(CH2SiMe2NSiMe2CH2)(2)PPh, J AM CHEM S, 121(3), 1999, pp. 523-528
Citation: H. Basch et al., Why does the reaction of the dihydrogen molecule with [P2N2]Zr(mu-eta(2)-N-2)Zr[P2N2] produce [P2N2]Zr(mu-eta(2)-N2H)Zr[P2N2](mu-H) but not the thermodynamically more favorable [P2N2]Zr(mu-NH)(2)Zr[P2N2]? A theoretical study, J AM CHEM S, 121(24), 1999, pp. 5754-5761
Authors:
Yandulov, DV
Caulton, KG
Belkova, NV
Shubina, ES
Epstein, LM
Khoroshun, DV
Musaev, DG
Morokuma, K
Citation: Dv. Yandulov et al., Diminishing pi-stabilization of an unsaturated metal center: Hydrogen bonding to OsHCl(CO)((PBu2Me)-Bu-t)(2), J AM CHEM S, 120(48), 1998, pp. 12553-12563
Authors:
Matsubara, T
Koga, N
Musaev, DG
Morokuma, K
Citation: T. Matsubara et al., Density functional study on activation of ortho-CH bond in aromatic ketoneby Ru complex. Role of unusual five-coordinated d(6) metallacycle intermediate with agostic interaction, J AM CHEM S, 120(48), 1998, pp. 12692-12693