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Results:
1-15
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Results: 15
Authors:
Torrent, M
Mogi, K
Basch, H
Musaev, DG
Morokuma, K
Citation: M. Torrent et al., A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model, J PHYS CH B, 105(36), 2001, pp. 8616-8628
Authors:
Basch, H
Musaev, DG
Morokuma, K
Citation: H. Basch et al., A density functional study of the completion of the methane monooxygenase catalytic cycle. Methanol complex to MMOH resting state, J PHYS CH B, 105(35), 2001, pp. 8452-8460
Authors:
Basch, H
Musaev, DG
Mogi, K
Morokuma, K
Citation: H. Basch et al., Theoretical studies on the mechanism of the methane -> methanol conversionreaction catalyzed by methane monooxygenase (MMO): The O-side vs N-side mechanisms (vol 105, pg 3615, 2001), J PHYS CH B, 105(20), 2001, pp. 4770-4770
Authors:
Torrent, M
Musaev, DG
Morokuma, K
Basch, H
Citation: M. Torrent et al., A density functional study of possible intermediates of the reaction of dioxygen molecule with nonheme iron complexes. 2. "Water-assisted" model studies, J PHYS CH B, 105(19), 2001, pp. 4453-4463
Authors:
Basch, H
Musaev, DG
Mogi, K
Morokuma, K
Citation: H. Basch et al., Theoretical studies on the mechanism of the methane -> methanol conversionreaction catalyzed by methane monooxygenase: O-side vs N-side mechanisms, J PHYS CH A, 105(14), 2001, pp. 3615-3622
Authors:
Wolk, JL
Hoz, T
Basch, H
Hoz, S
Citation: Jl. Wolk et al., Quantification of the various contributors to rate enhancement in nucleophilic strain releasing reactions, J ORG CHEM, 66(3), 2001, pp. 915-918
Authors:
Morokuma, K
Musaev, DG
Vreven, T
Basch, H
Torrent, M
Khoroshun, DV
Citation: K. Morokuma et al., Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes, IBM J RES, 45(3-4), 2001, pp. 367-395
Authors:
Basch, H
Musaev, DG
Morokuma, K
Citation: H. Basch et al., Call the binuclear dinitrogen complex [P2N2]Zr(mu-eta(2)-N-2)Zr[P2N2] activate more than one hydrogen molecule? A theoretical study, ORGANOMETAL, 19(17), 2000, pp. 3393-3403
Authors:
Basch, H
Hoz, T
Hoz, S
Citation: H. Basch et al., Hyperconjugative effects in carbenium and silicenium ions, J PHYS CH A, 103(32), 1999, pp. 6458-6467
Authors:
Rozental, E
Azran, C
Basch, H
Hoz, S
Citation: E. Rozental et al., Strain in bicyclobutane: on the interpretation of quantitative data, CAN J CHEM, 77(5-6), 1999, pp. 537-539
Authors:
Hoz, S
Basch, H
Wolk, JL
Hoz, T
Rozental, E
Citation: S. Hoz et al., Intrinsic barriers in identity SN2 reactions and the periodic table, J AM CHEM S, 121(33), 1999, pp. 7724-7725
Authors:
Basch, H
Mogi, K
Musaev, DG
Morokuma, K
Citation: H. Basch et al., Mechanism of the methane -> methanol conversion reaction catalyzed by methane monooxygenase: A density functional study, J AM CHEM S, 121(31), 1999, pp. 7249-7256
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
Authors:
Basch, H
Musaev, DG
Morokuma, K
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:
Basch, H
Aped, P
Hoz, S
Goldberg, M
Citation: H. Basch et al., Ab initio valence bond description of diatomic dications, TH COMP CHE, 6, 1999, pp. 423-448
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