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Results: 1-25 | 26-31
Results: 1-25/31
METHANE ACTIVATION BY METHANE MONOOXYGENASE - FREE-RADICALS, FE-C BONDING, SUBSTRATE-DEPENDENT PATHWAYS AND THE ROLE OF THE REGULATORY PROTEIN
Authors: DEETH RJ DALTON H
Citation: Rj. Deeth et H. Dalton, METHANE ACTIVATION BY METHANE MONOOXYGENASE - FREE-RADICALS, FE-C BONDING, SUBSTRATE-DEPENDENT PATHWAYS AND THE ROLE OF THE REGULATORY PROTEIN, JBIC. Journal of biological inorganic chemistry, 3(3), 1998, pp. 302-306
TETRAHYDROFURAN (THF) SOLVATES OF TIN (IV) HALIDES - CRYSTAL-STRUCTURES OF TRANS-SNX4(THF)(2) WHERE X = CL, BR - MOLECULAR MODELING OF THE CIS TRANS ISOMERS OF SNX4(THF)(2)/
Authors: WILLEY GR WOODMAN TJ DEETH RJ ERRINGTON W
Citation: Gr. Willey et al., TETRAHYDROFURAN (THF) SOLVATES OF TIN (IV) HALIDES - CRYSTAL-STRUCTURES OF TRANS-SNX4(THF)(2) WHERE X = CL, BR - MOLECULAR MODELING OF THE CIS TRANS ISOMERS OF SNX4(THF)(2)/, Silicon, germanium, tin and lead compounds, 21(10), 1998, pp. 583-591
THE HECK OLEFINATION REACTION - A DFT STUDY OF THE ELIMINATION PATHWAY
Authors: DEETH RJ SMITH A HII KK BROWN JM
Citation: Rj. Deeth et al., THE HECK OLEFINATION REACTION - A DFT STUDY OF THE ELIMINATION PATHWAY, Tetrahedron letters, 39(20), 1998, pp. 3229-3232
A DENSITY-FUNCTIONAL AND THERMOCHEMICAL STUDY OF M-X BOND LENGTHS ANDENERGIES IN [MX6](2-) COMPLEXES - LDA VERSUS BECKE88 PERDEW86 GRADIENT-CORRECTED FUNCTIONALS/
Authors: DEETH RJ JENKINS HDB
Citation: Rj. Deeth et Hdb. Jenkins, A DENSITY-FUNCTIONAL AND THERMOCHEMICAL STUDY OF M-X BOND LENGTHS ANDENERGIES IN [MX6](2-) COMPLEXES - LDA VERSUS BECKE88 PERDEW86 GRADIENT-CORRECTED FUNCTIONALS/, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4793-4798
THE CATALYTIC ACTIVITY OF XANTHINE-OXIDASE - MECHANISTIC INSIGHTS THROUGH COMPUTER MODELING
Authors: BRAY MR DEETH RJ
Citation: Mr. Bray et Rj. Deeth, THE CATALYTIC ACTIVITY OF XANTHINE-OXIDASE - MECHANISTIC INSIGHTS THROUGH COMPUTER MODELING, Journal of the Chemical Society. Dalton transactions, (8), 1997, pp. 1267-1268
MOLECULAR MECHANICS CALCULATIONS ON IMINE AND MIXED-LIGAND SYSTEMS OFCO-III, NI-II AND CU-II
Authors: DEETH RJ PAGET VJ
Citation: Rj. Deeth et Vj. Paget, MOLECULAR MECHANICS CALCULATIONS ON IMINE AND MIXED-LIGAND SYSTEMS OFCO-III, NI-II AND CU-II, Journal of the Chemical Society. Dalton transactions, (4), 1997, pp. 537-546
SOFT COBALT(III) CENTERS - ELECTRONIC LEVELING IN [COX3(AH(3))(2)] (X= CL, BR OR I, A = P, AS OR SB)
Authors: DEETH RJ
Citation: Rj. Deeth, SOFT COBALT(III) CENTERS - ELECTRONIC LEVELING IN [COX3(AH(3))(2)] (X= CL, BR OR I, A = P, AS OR SB), Journal of the Chemical Society. Dalton transactions, (22), 1997, pp. 4203-4207
COMPUTER MODELING OF ELECTRON-PARAMAGNETIC RESONANCE-ACTIVE MOLYBDENUM(V) SPECIES IN XANTHINE-OXIDASE
Authors: BRAY MR DEETH RJ
Citation: Mr. Bray et Rj. Deeth, COMPUTER MODELING OF ELECTRON-PARAMAGNETIC RESONANCE-ACTIVE MOLYBDENUM(V) SPECIES IN XANTHINE-OXIDASE, Journal of the Chemical Society. Dalton transactions, (21), 1997, pp. 4005-4009
THE RELATIVE PERFORMANCE OF THE LOCAL-DENSITY APPROXIMATION AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR COMPUTING METAL-LIGAND DISTANCES IN WERNER-TYPE AND ORGANOMETALLIC COMPLEXES
Authors: BRAY MR DEETH RJ PAGET VJ SHEEN PD
Citation: Mr. Bray et al., THE RELATIVE PERFORMANCE OF THE LOCAL-DENSITY APPROXIMATION AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR COMPUTING METAL-LIGAND DISTANCES IN WERNER-TYPE AND ORGANOMETALLIC COMPLEXES, International journal of quantum chemistry, 61(1), 1997, pp. 85-91
POLYMERIZATION OF ETHENE BY THE NOVEL TITANIUM COMPLEX [TI(ME(3)SINCH(2)CH(2)NSIME(3))CL-2] - A METALLOCENE ANALOG
Authors: TINKLER S DEETH RJ DUNCALF DJ MCCAMLEY A
Citation: S. Tinkler et al., POLYMERIZATION OF ETHENE BY THE NOVEL TITANIUM COMPLEX [TI(ME(3)SINCH(2)CH(2)NSIME(3))CL-2] - A METALLOCENE ANALOG, Chemical communications, (23), 1996, pp. 2623-2624
REACTIONS OF COORDINATED LIGANDS .60. SYNTHESIS AND REACTIVITY OF ETA(2)(4E)-ALKYNE AND ETA(2)(3E)-VINYL COMPLEXES OF RHENIUM
Authors: CARFAGNA C CARR N DEETH RJ DOSSETT SJ GREEN M MAHON MF VAUGHAN C
Citation: C. Carfagna et al., REACTIONS OF COORDINATED LIGANDS .60. SYNTHESIS AND REACTIVITY OF ETA(2)(4E)-ALKYNE AND ETA(2)(3E)-VINYL COMPLEXES OF RHENIUM, Journal of the Chemical Society. Dalton transactions, (4), 1996, pp. 415-430
REACTIONS OF COORDINATED LIGANDS .61. SYNTHESIS AND REACTIVITY OF ETA(3)-GAMMA-LACTONYL COMPLEXES OF MOLYBDENUM - CRYSTAL-STRUCTURES OF [MO(ETA(3)-OC(O)CHCHCH)(CO)(2)(ETA-C(5)ME(5))], ETA(2)PHCH(2)NHCHCH=CH(CO2H))(CO)(2)(ETA(5)-C9H7)] AND [MO(ETA(3)-OC(O)CHCHCHCO)(NCME)(CO)(ETA-C5H5)]
Authors: BUTTERS C CARR N DEETH RJ GREEN M GREEN SM MAHON MF
Citation: C. Butters et al., REACTIONS OF COORDINATED LIGANDS .61. SYNTHESIS AND REACTIVITY OF ETA(3)-GAMMA-LACTONYL COMPLEXES OF MOLYBDENUM - CRYSTAL-STRUCTURES OF [MO(ETA(3)-OC(O)CHCHCH)(CO)(2)(ETA-C(5)ME(5))], ETA(2)PHCH(2)NHCHCH=CH(CO2H))(CO)(2)(ETA(5)-C9H7)] AND [MO(ETA(3)-OC(O)CHCHCHCO)(NCME)(CO)(ETA-C5H5)], Journal of the Chemical Society. Dalton transactions, (11), 1996, pp. 2299-2308
KINETICS AND MECHANISM IN TRANSITION-METAL CHEMISTRY - A COMPUTATIONAL PERSPECTIVE
Authors: BRAY MR DEETH RJ PAGET VJ
Citation: Mr. Bray et al., KINETICS AND MECHANISM IN TRANSITION-METAL CHEMISTRY - A COMPUTATIONAL PERSPECTIVE, Progress in Reaction Kinetics, 21(4), 1996, pp. 169-214
A DENSITY-FUNCTIONAL STUDY OF ACTIVE-SITE MODELS FOR XANTHINE-OXIDASE
Authors: BRAY MR DEETH RJ
Citation: Mr. Bray et Rj. Deeth, A DENSITY-FUNCTIONAL STUDY OF ACTIVE-SITE MODELS FOR XANTHINE-OXIDASE, Inorganic chemistry, 35(19), 1996, pp. 5720-5724
THEORETICAL MODELING OF WATER EXCHANGE ON [PD(H2O)(4)](2-[PTCL2(H2O)(2)](), [PT(H2O)(4)](2+), AND TRANS)
Authors: DEETH RJ ELDING LI
Citation: Rj. Deeth et Li. Elding, THEORETICAL MODELING OF WATER EXCHANGE ON [PD(H2O)(4)](2-[PTCL2(H2O)(2)](), [PT(H2O)(4)](2+), AND TRANS), Inorganic chemistry, 35(17), 1996, pp. 5019-5026
TRANSITION-STATE SYMMETRIES AND THEORETICAL ACTIVATION ENTHALPIES FORCHLORIDE EXCHANGE AT PLANAR [PDCL4](2-)
Authors: DEETH RJ
Citation: Rj. Deeth, TRANSITION-STATE SYMMETRIES AND THEORETICAL ACTIVATION ENTHALPIES FORCHLORIDE EXCHANGE AT PLANAR [PDCL4](2-), Chemical physics letters, 261(1-2), 1996, pp. 45-50
DEPROTONATION OF ETA(2)(4E)-BONDED ALKYNES AS A PATHWAY TO SIGMA,ETA(3E)-PROP-2-YNYL, ETA(5)-PENTADIENYL AND ETA(4)-TRANS-1,3-DIENE SUBSTITUTED MOLYBDENUM COMPLEXES
Authors: CARFAGNA C DEETH RJ GREEN M MAHON MF MCINNES JM PELLEGRINI S WOOLHOUSE CB
Citation: C. Carfagna et al., DEPROTONATION OF ETA(2)(4E)-BONDED ALKYNES AS A PATHWAY TO SIGMA,ETA(3E)-PROP-2-YNYL, ETA(5)-PENTADIENYL AND ETA(4)-TRANS-1,3-DIENE SUBSTITUTED MOLYBDENUM COMPLEXES, Journal of the Chemical Society. Dalton transactions, (24), 1995, pp. 3975-3985
DISCRETE VARIATIONAL X-ALPHA STUDIES OF THE ELECTRONIC-STRUCTURE OF AMAVADIN
Authors: ARMSTRONG EM COLLISON D DEETH RJ GARNER CD
Citation: Em. Armstrong et al., DISCRETE VARIATIONAL X-ALPHA STUDIES OF THE ELECTRONIC-STRUCTURE OF AMAVADIN, Journal of the Chemical Society. Dalton transactions, (2), 1995, pp. 191-195
IS THE GROUND-STATE OF [RUO4](2-) EXCEPTIONAL
Authors: DEETH RJ
Citation: Rj. Deeth, IS THE GROUND-STATE OF [RUO4](2-) EXCEPTIONAL, Journal of the Chemical Society. Dalton transactions, (10), 1995, pp. 1537-1542
METAL DINITROGEN DELTA-BONDING AND PI-BONDING ROLES IN [FE(DMPE)(2)H(N(2)](-[V(DMPE)(2)(N(2))(2)[- (DMPE = ME(2)PCH(2)CH(2)PET(2))(), [FE(DEPE)(2)(N(2))] AND TRANS)
Authors: DEETH RJ LANGFORD SA
Citation: Rj. Deeth et Sa. Langford, METAL DINITROGEN DELTA-BONDING AND PI-BONDING ROLES IN [FE(DMPE)(2)H(N(2)](-[V(DMPE)(2)(N(2))(2)[- (DMPE = ME(2)PCH(2)CH(2)PET(2))(), [FE(DEPE)(2)(N(2))] AND TRANS), Journal of the Chemical Society. Dalton transactions, (1), 1995, pp. 1-4
MOLECULAR MODELING FOR COPPER(II) CENTERS
Authors: BURTON VJ DEETH RJ
Citation: Vj. Burton et Rj. Deeth, MOLECULAR MODELING FOR COPPER(II) CENTERS, Journal of the Chemical Society, Chemical Communications, (5), 1995, pp. 573-574
THE FORMATION AND STRUCTURAL CHARACTERIZATION OF THE TRANSOID-ETA(4)(5E)-BUTADIENYL LIGAND - EVIDENCE FOR A BENT RHENIUM-CARBON BOND
Authors: DEETH RJ DOSSETT SJ GREEN M MAHON MF RUMBLE SJ
Citation: Rj. Deeth et al., THE FORMATION AND STRUCTURAL CHARACTERIZATION OF THE TRANSOID-ETA(4)(5E)-BUTADIENYL LIGAND - EVIDENCE FOR A BENT RHENIUM-CARBON BOND, Journal of the Chemical Society, Chemical Communications, (5), 1995, pp. 593-595
MOLECULAR MECHANICS FOR COORDINATION-COMPLEXES - THE IMPACT OF ADDINGD-ELECTRON STABILIZATION ENERGIES
Authors: BURTON VJ DEETH RJ KEMP CM GILBERT PJ
Citation: Vj. Burton et al., MOLECULAR MECHANICS FOR COORDINATION-COMPLEXES - THE IMPACT OF ADDINGD-ELECTRON STABILIZATION ENERGIES, Journal of the American Chemical Society, 117(32), 1995, pp. 8407-8415
THEORETICAL VIBRATIONAL ENERGIES OF [CRO4]2-, [MNO4]2- AND [FEO4]2-
Authors: DEETH RJ SHEEN PD
Citation: Rj. Deeth et Pd. Sheen, THEORETICAL VIBRATIONAL ENERGIES OF [CRO4]2-, [MNO4]2- AND [FEO4]2-, Journal of the Chemical Society. Faraday transactions, 90(21), 1994, pp. 3237-3240
REACTIONS OF COORDINATED LIGANDS .58. THE REACTION OF DIMOLYBDENUM MU-SIGMA-ETA(2)-(4E)-VINYLIDENE COMPLEXES WITH PROTON SOURCES AND DIAZOMETHANE - SYNTHESIS AND CRYSTAL-STRUCTURE OF THE MO-MO BONDED COMPLEX A-ETA(2)-CH2C(PH)CH2)(CO)(3)(ETA-C5H5)(2)][CF3SO3]
Authors: BAMBER M CONOLE GC DEETH RJ FROOM SFT GREEN M
Citation: M. Bamber et al., REACTIONS OF COORDINATED LIGANDS .58. THE REACTION OF DIMOLYBDENUM MU-SIGMA-ETA(2)-(4E)-VINYLIDENE COMPLEXES WITH PROTON SOURCES AND DIAZOMETHANE - SYNTHESIS AND CRYSTAL-STRUCTURE OF THE MO-MO BONDED COMPLEX A-ETA(2)-CH2C(PH)CH2)(CO)(3)(ETA-C5H5)(2)][CF3SO3], Journal of the Chemical Society. Dalton transactions, (24), 1994, pp. 3569-3579
Risultati: 1-25 | 26-31