Authors:
Danovich, D
Ogliaro, F
Karni, M
Apeloig, Y
Cooper, DL
Shaik, S
Citation: D. Danovich et al., Silynes (RC equivalent to SiR ') and disilynes (RSi equivalent to SiR '): Why are less bonds worth energetically more?, ANGEW CHEM, 40(21), 2001, pp. 4023
Authors:
Groves, JT
Shaik, S
Ogliaro, F
De Visser, SP
Citation: Jt. Groves et al., Chameleon states: High-valent metal-oxo species of cytochrome P450 and itsruthenium analogue (vol 40, pg 2874, 2001), ANGEW CHEM, 40(19), 2001, pp. 3503-3503
Citation: Sp. De Visser et al., How does ethene inactivate cytochrome P450 En Route to its epoxidation? A density functional study, ANGEW CHEM, 40(15), 2001, pp. 2871-2874
Authors:
Ogliaro, F
de Visser, SP
Groves, JT
Shaik, S
Citation: F. Ogliaro et al., Chameleon states: High-valent metal-oxo species of cytochrome P450 and itsruthenium analogue, ANGEW CHEM, 40(15), 2001, pp. 2874-2878
Citation: Sp. De Visser et al., Stereospecific oxidation by Compound I of Cytochrome P450 does not proceedin a concerted synchronous manner, CHEM COMMUN, (22), 2001, pp. 2322-2323
Authors:
de Visser, SP
Ogliaro, F
Gross, Z
Shaik, S
Citation: Sp. De Visser et al., What is the difference between the manganese porphyrin and corrole analogues of cytochrome P450's compound I?, CHEM-EUR J, 7(22), 2001, pp. 4954-4960
Authors:
de Visser, SP
Ogliaro, F
Harris, N
Shaik, S
Citation: Sp. De Visser et al., Multi-state epoxidation of ethene by cytochrome P450: A quantum chemical study, J AM CHEM S, 123(13), 2001, pp. 3037-3047
Citation: F. Ogliaro et al., Alkane hydroxylation by cytochrome P450: Is kinetic isotope effect a reliable probe of transition state structure?, EUR J INORG, (12), 2000, pp. 2455-2458
Authors:
Ogliaro, F
Cohen, S
Filatov, M
Harris, N
Shaik, S
Citation: F. Ogliaro et al., The high-valent compound of cytochrome P450: The nature of the Fe-S bond and the role of the thiolate ligand as an internal electron donor, ANGEW CHEM, 39(21), 2000, pp. 3851
Authors:
Harris, N
Cohen, S
Filatov, M
Ogliaro, F
Shaik, S
Citation: N. Harris et al., Two-state reactivity in the rebound step of alkane hydroxylation by cytochrome P-450: Origins of free radicals with finite lifetimes, ANGEW CHEM, 39(11), 2000, pp. 2003
Authors:
Ogliaro, F
Halet, JF
Astruc, D
Saillard, JY
Citation: F. Ogliaro et al., A DFT investigation of the molecular and electronic structures of 19-electron transition-metal sandwich complexes, NEW J CHEM, 24(5), 2000, pp. 257-259
Authors:
Ogliaro, F
Loades, SD
Cooper, DL
Karadakov, PB
Citation: F. Ogliaro et al., Spin-coupled model of the bonding in first-row transition metal methylene monocations, J PHYS CH A, 104(30), 2000, pp. 7091-7098
Authors:
Ogliaro, F
Cohen, S
de Visser, SP
Shaik, S
Citation: F. Ogliaro et al., Medium polarization and hydrogen bonding effects on compound I of Cytochrome p450: What kind of a radical is it really?, J AM CHEM S, 122(51), 2000, pp. 12892-12893
Authors:
Ogliaro, F
Harris, N
Cohen, S
Filatov, M
de Visser, SP
Shaik, S
Citation: F. Ogliaro et al., A model "rebound" mechanism of hydroxylation by cytochrome P450: Stepwise and effectively concerted pathways, and their reactivity patterns, J AM CHEM S, 122(37), 2000, pp. 8977-8989
Authors:
Gautier, R
Ogliaro, F
Halet, JF
Saillard, JY
Baerends, EJ
Citation: R. Gautier et al., Bonding analysis in inorganic transition-metal cubic clusters, 5 - M-8(mu(8)-E ')(mu(4)-E)(6)L-8 species centered and hexacapped by main-group atoms, EUR J INORG, (7), 1999, pp. 1161-1168
Citation: F. Ogliaro et al., Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems, INT J QUANT, 74(2), 1999, pp. 223-229
Authors:
Ogliaro, F
Cordier, S
Halet, JF
Perrin, C
Saillard, JY
Sergent, M
Citation: F. Ogliaro et al., Detailed structural and theoretical studies of the bonding in edge-bridgedhalide and oxyhalide octahedral niobium and tantalum clusters, INORG CHEM, 37(24), 1998, pp. 6199-6207