AAAAAA

   
Results: 1-24 |
Results: 24
OBSERVING AND MODELING ENERGETICALLY CLOSE ALPHA-CARBON-HYDROGEN AND BETA-CARBON-HYDROGEN AGOSTIC INTERACTIONS IN AN ISOPROPYL TRIS(PYRAZOLYL)BORATONIOBIUM COMPLEX
Authors: JAFFART J MATHIEU R ETIENNE M MCGRADY JE EISENSTEIN O MASERAS F
Citation: J. Jaffart et al., OBSERVING AND MODELING ENERGETICALLY CLOSE ALPHA-CARBON-HYDROGEN AND BETA-CARBON-HYDROGEN AGOSTIC INTERACTIONS IN AN ISOPROPYL TRIS(PYRAZOLYL)BORATONIOBIUM COMPLEX, Chemical communications, (18), 1998, pp. 2011-2012
DISSOCIATIVE AND NONDISSOCIATIVE PATHWAYS IN THE ENDO TO EXO ISOMERIZATION OF TETRAMETHYL-O-XYLYLENE COMPLEXES OF RUTHENIUM AND OSMIUM, ML3(ETA(4)-O-C6ME4(CH2)(2)) (M = RU, L = PME3, M = OS, L = PME3, PME2PH) - FORMATION OF HEXAMETHYLBENZENE-1,2-DIYL COMPLEXES BY LIGAND ADDITIONTO THE EXO-OSMIUM COMPLEXES
Authors: BENNETT MA BOWN M HOCKLESS DCR MCGRADY JE SCHRANZ HW STRANGER R WILLIS AC
Citation: Ma. Bennett et al., DISSOCIATIVE AND NONDISSOCIATIVE PATHWAYS IN THE ENDO TO EXO ISOMERIZATION OF TETRAMETHYL-O-XYLYLENE COMPLEXES OF RUTHENIUM AND OSMIUM, ML3(ETA(4)-O-C6ME4(CH2)(2)) (M = RU, L = PME3, M = OS, L = PME3, PME2PH) - FORMATION OF HEXAMETHYLBENZENE-1,2-DIYL COMPLEXES BY LIGAND ADDITIONTO THE EXO-OSMIUM COMPLEXES, Organometallics, 17(17), 1998, pp. 3784-3797
ELECTRONIC-STRUCTURE OF FACE-SHARED AND EDGE-SHARED BIOCTAHEDRAL SYSTEMS - A COMPARISON OF M2CL93- AND M2CL104-, M = CR, MO, W
Authors: MCGRADY JE STRANGER R LOVELL T
Citation: Je. Mcgrady et al., ELECTRONIC-STRUCTURE OF FACE-SHARED AND EDGE-SHARED BIOCTAHEDRAL SYSTEMS - A COMPARISON OF M2CL93- AND M2CL104-, M = CR, MO, W, Inorganic chemistry, 37(15), 1998, pp. 3802-3808
BROKEN-SYMMETRY AND APPROXIMATE SPIN-PROJECTED POTENTIAL-ENERGY CURVES FOR BIMETALLIC SYSTEMS - A DENSITY-FUNCTIONAL STUDY OF M2CL9, M=CR-III, MO-III, W-III, AND RE-IV
Authors: MCGRADY JE STRANGER R LOVELL T
Citation: Je. Mcgrady et al., BROKEN-SYMMETRY AND APPROXIMATE SPIN-PROJECTED POTENTIAL-ENERGY CURVES FOR BIMETALLIC SYSTEMS - A DENSITY-FUNCTIONAL STUDY OF M2CL9, M=CR-III, MO-III, W-III, AND RE-IV, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(35), 1997, pp. 6265-6272
THE REACTIVITY OF [2.2.2]PARACYCLOPHANE TOWARDS CR(CO)(6) - EXPERIMENTAL AND THEORETICAL CONSIDERATIONS
Authors: DYSON PJ HUMPHREY DG MCGRADY JE SUMAN P TOCHER D
Citation: Pj. Dyson et al., THE REACTIVITY OF [2.2.2]PARACYCLOPHANE TOWARDS CR(CO)(6) - EXPERIMENTAL AND THEORETICAL CONSIDERATIONS, Journal of the Chemical Society. Dalton transactions, (9), 1997, pp. 1601-1605
BONDING OF ETA(1)-ACETYLIDE LIGANDS TO ELECTRON-RICH RUTHENIUM CENTERS - CAN ELECTRON-WITHDRAWING LIGANDS INDUCE SIGNIFICANT METAL-TO-LIGAND BACK-BONDING
Authors: MCGRADY JE LOVELL T STRANGER R HUMPHREY MG
Citation: Je. Mcgrady et al., BONDING OF ETA(1)-ACETYLIDE LIGANDS TO ELECTRON-RICH RUTHENIUM CENTERS - CAN ELECTRON-WITHDRAWING LIGANDS INDUCE SIGNIFICANT METAL-TO-LIGAND BACK-BONDING, Organometallics, 16(18), 1997, pp. 4004-4011
HYDRIDE-BRIDGED HETEROBIMETALLIC COMPLEXES OF ZIRCONIUM AND ALUMINUM
Authors: KHAN K RASTON CL MCGRADY JE SKELTON BW WHITE AH
Citation: K. Khan et al., HYDRIDE-BRIDGED HETEROBIMETALLIC COMPLEXES OF ZIRCONIUM AND ALUMINUM, Organometallics, 16(15), 1997, pp. 3252-3254
PROBING THE BALANCE BETWEEN LOCALIZATION AND DELOCALIZATION OF THE METAL-BASED ELECTRONS IN FACE-SHARED BIOCTAHEDRAL COMPLEXES
Authors: MCGRADY JE LOVELL T STRANGER R
Citation: Je. Mcgrady et al., PROBING THE BALANCE BETWEEN LOCALIZATION AND DELOCALIZATION OF THE METAL-BASED ELECTRONS IN FACE-SHARED BIOCTAHEDRAL COMPLEXES, Inorganic chemistry, 36(15), 1997, pp. 3242-3247
REDOX-INDUCED CHANGES IN THE GEOMETRY AND ELECTRONIC-STRUCTURE OF DI-MU-OXO-BRIDGED MANGANESE DIMERS
Authors: MCGRADY JE STRANGER R
Citation: Je. Mcgrady et R. Stranger, REDOX-INDUCED CHANGES IN THE GEOMETRY AND ELECTRONIC-STRUCTURE OF DI-MU-OXO-BRIDGED MANGANESE DIMERS, Journal of the American Chemical Society, 119(36), 1997, pp. 8512-8522
HIGH-NUCLEARITY RUTHENIUM CARBONYL CLUSTER CHEMISTRY .5. LOCAL-DENSITY FUNCTIONAL, ELECTRONIC SPECTROSCOPY, MAGNETIC-SUSCEPTIBILITY, AND ELECTRON-PARAMAGNETIC-RESONANCE STUDIES ON (CARBIDO)DECARUTHENIUM CARBONYL CLUSTERS
Authors: CIFUENTES MP HUMPHREY MG MCGRADY JE SMITH PJ STRANGER R MURRAY KS MOUBARAKI B
Citation: Mp. Cifuentes et al., HIGH-NUCLEARITY RUTHENIUM CARBONYL CLUSTER CHEMISTRY .5. LOCAL-DENSITY FUNCTIONAL, ELECTRONIC SPECTROSCOPY, MAGNETIC-SUSCEPTIBILITY, AND ELECTRON-PARAMAGNETIC-RESONANCE STUDIES ON (CARBIDO)DECARUTHENIUM CARBONYL CLUSTERS, Journal of the American Chemical Society, 119(11), 1997, pp. 2647-2655
NOVEL INTERMOLECULAR C-H-PI INTERACTIONS - AN AB-INITIO AND DENSITY-FUNCTIONAL THEORY STUDY
Authors: FAN MF LIN ZY MCGRADY JE MINGOS DMP
Citation: Mf. Fan et al., NOVEL INTERMOLECULAR C-H-PI INTERACTIONS - AN AB-INITIO AND DENSITY-FUNCTIONAL THEORY STUDY, Perkin transactions. 2, (4), 1996, pp. 563-568
THE ROLE OF TRANSITION-METAL IONS IN HYDROGEN-BONDED NETWORKS - A DENSITY-FUNCTIONAL MOLECULAR-ORBITAL THEORY STUDY
Authors: MCGRADY JE MINGOS DMP
Citation: Je. Mcgrady et Dmp. Mingos, THE ROLE OF TRANSITION-METAL IONS IN HYDROGEN-BONDED NETWORKS - A DENSITY-FUNCTIONAL MOLECULAR-ORBITAL THEORY STUDY, Perkin transactions. 2, (3), 1996, pp. 355-358
DENSITY-FUNCTIONAL STUDY OF THE GROUND-SPIN AND EXCITED-SPIN STATES OF [M(2)CL(9)](3-) (M=MO OR W) FACE-SHARED DIMERS - CONSEQUENCES FOR STRUCTURAL VARIATION IN A(3)M(2)CL(9) COMPLEXES
Authors: STRANGER R MACGREGOR SA LOVELL T MCGRADY JE HEATH GA
Citation: R. Stranger et al., DENSITY-FUNCTIONAL STUDY OF THE GROUND-SPIN AND EXCITED-SPIN STATES OF [M(2)CL(9)](3-) (M=MO OR W) FACE-SHARED DIMERS - CONSEQUENCES FOR STRUCTURAL VARIATION IN A(3)M(2)CL(9) COMPLEXES, Journal of the Chemical Society. Dalton transactions, (23), 1996, pp. 4485-4491
LINKAGE ISOMERISM IN COMPLEXES OF O-XYLYLENE - DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND BONDING IN ENDO-RU(PH3)(3)(O-XYLYLENE) AND EXO-RU(PH3)(3)(O-XYLYLENE)
Authors: MCGRADY JE STRANGER R BOWN M BENNETT MA
Citation: Je. Mcgrady et al., LINKAGE ISOMERISM IN COMPLEXES OF O-XYLYLENE - DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND BONDING IN ENDO-RU(PH3)(3)(O-XYLYLENE) AND EXO-RU(PH3)(3)(O-XYLYLENE), Organometallics, 15(14), 1996, pp. 3109-3114
ELECTRONIC-STRUCTURE OF [PT-2(MU-O2CCH3)(4)(H2O)(2)](2-RELATIVISTIC X-ALPHA-SW METHOD - ANALYSIS OF METAL-METAL BONDING, ASSIGNMENT OF ELECTRONIC-SPECTRA, AND COMPARISON WITH RH-2(MU-O2CCH3)(4)(H2O)(2)() USINGTHE QUASI)
Authors: STRANGER R MEDLEY GA MCGRADY JE GARRETT JM APPLETON TG
Citation: R. Stranger et al., ELECTRONIC-STRUCTURE OF [PT-2(MU-O2CCH3)(4)(H2O)(2)](2-RELATIVISTIC X-ALPHA-SW METHOD - ANALYSIS OF METAL-METAL BONDING, ASSIGNMENT OF ELECTRONIC-SPECTRA, AND COMPARISON WITH RH-2(MU-O2CCH3)(4)(H2O)(2)() USINGTHE QUASI), Inorganic chemistry, 35(8), 1996, pp. 2268-2275
COMMUNICATION BETWEEN PORPHYRIN RINGS IN THE BUTADIYNE-BRIDGED DIMER NI(OEP)(MU-C-4)NI(OEP) - A DENSITY-FUNCTIONAL STUDY
Authors: STRANGER R MCGRADY JE ARNOLD DP LANE I HEATH GA
Citation: R. Stranger et al., COMMUNICATION BETWEEN PORPHYRIN RINGS IN THE BUTADIYNE-BRIDGED DIMER NI(OEP)(MU-C-4)NI(OEP) - A DENSITY-FUNCTIONAL STUDY, Inorganic chemistry, 35(26), 1996, pp. 7791-7797
VALENCE-DEPENDENT METAL-METAL BONDING AND OPTICAL-SPECTRA IN CONFACIAL BIOCTAHEDRAL [RE2CL9](Z-) (Z=1,2,3) - CRYSTALLOGRAPHIC AND COMPUTATIONAL CHARACTERIZATION OF [RE2CL9](-) AND [RE2CL9](2-)
Authors: HEATH GA MCGRADY JE RAPTIS RG WILLIS AC
Citation: Ga. Heath et al., VALENCE-DEPENDENT METAL-METAL BONDING AND OPTICAL-SPECTRA IN CONFACIAL BIOCTAHEDRAL [RE2CL9](Z-) (Z=1,2,3) - CRYSTALLOGRAPHIC AND COMPUTATIONAL CHARACTERIZATION OF [RE2CL9](-) AND [RE2CL9](2-), Inorganic chemistry, 35(23), 1996, pp. 6838-6843
OPTIMIZED STRUCTURES OF BIMETALLIC SYSTEMS - A COMPARISON OF FULL-SYMMETRY AND BROKEN-SYMMETRY DENSITY-FUNCTIONAL CALCULATIONS
Authors: LOVELL T MCGRADY JE STRANGER R MACGREGOR SA
Citation: T. Lovell et al., OPTIMIZED STRUCTURES OF BIMETALLIC SYSTEMS - A COMPARISON OF FULL-SYMMETRY AND BROKEN-SYMMETRY DENSITY-FUNCTIONAL CALCULATIONS, Inorganic chemistry, 35(11), 1996, pp. 3079-3080
MULTIDIMENSIONAL CRYSTAL ENGINEERING OF BIFUNCTIONAL METAL-COMPLEXES CONTAINING COMPLEMENTARY TRIPLE HYDROGEN-BONDS
Authors: BURROWS AD CHAN CW CHOWDHRY MM MCGRADY JE MINGOS DMP
Citation: Ad. Burrows et al., MULTIDIMENSIONAL CRYSTAL ENGINEERING OF BIFUNCTIONAL METAL-COMPLEXES CONTAINING COMPLEMENTARY TRIPLE HYDROGEN-BONDS, Chemical Society reviews, 24(5), 1995, pp. 329
COMPLEMENTARY HYDROGEN-BONDING IN DIAMIDES - A STUDY ON THE INFLUENCEOF REMOTE SUBSTITUENTS USING DENSITY-FUNCTIONAL THEORY
Authors: MCGRADY JE MINGOS DMP
Citation: Je. Mcgrady et Dmp. Mingos, COMPLEMENTARY HYDROGEN-BONDING IN DIAMIDES - A STUDY ON THE INFLUENCEOF REMOTE SUBSTITUENTS USING DENSITY-FUNCTIONAL THEORY, Perkin transactions. 2, (12), 1995, pp. 2287-2291
COMPARISON OF THE REACTIVITY OF [2.2]PARACYCLOPHANE AND P-XYLENE
Authors: DYSON PJ HUMPHREY DG MCGRADY JE MINGOS DMP WILSON DJ
Citation: Pj. Dyson et al., COMPARISON OF THE REACTIVITY OF [2.2]PARACYCLOPHANE AND P-XYLENE, Journal of the Chemical Society. Dalton transactions, (24), 1995, pp. 4039-4043
C-4-RING LIGAND-TRANSFER REACTIONS - APPLICATIONS TO CLUSTER CHEMISTRY - CRYSTAL-STRUCTURES OF [RU5C(CO)(13)(ETA-C(4)PH(4))] AND [RU6C(CO)(15)(ETA-C(4)PH(4))]
Authors: DYSON PJ INGHAM SL JOHNSON BFG MCGRADY JE MINGOS DMP BLAKE AJ
Citation: Pj. Dyson et al., C-4-RING LIGAND-TRANSFER REACTIONS - APPLICATIONS TO CLUSTER CHEMISTRY - CRYSTAL-STRUCTURES OF [RU5C(CO)(13)(ETA-C(4)PH(4))] AND [RU6C(CO)(15)(ETA-C(4)PH(4))], Journal of the Chemical Society. Dalton transactions, (17), 1995, pp. 2749-2755
INTERPRETATION OF THE ELECTRONIC-SPECTRA OF THE CONFACIAL BIOCTAHEDRAL NONAHALIDES [RU2CL9](3-) AND [RU2BR9](3-) USING THE SCF-X-ALPHA-SW METHOD - LOCATION OF THE SIGMA-]SIGMA-ASTERISK-TRANSITION
Authors: HEATH GA MCGRADY JE
Citation: Ga. Heath et Je. Mcgrady, INTERPRETATION OF THE ELECTRONIC-SPECTRA OF THE CONFACIAL BIOCTAHEDRAL NONAHALIDES [RU2CL9](3-) AND [RU2BR9](3-) USING THE SCF-X-ALPHA-SW METHOD - LOCATION OF THE SIGMA-]SIGMA-ASTERISK-TRANSITION, Journal of the Chemical Society. Dalton transactions, (24), 1994, pp. 3759-3767
MOLECULAR AND ELECTRONIC-STRUCTURE OF THE CONFACIAL DIOSMIUM(III) NONABROMIDE COMPLEX ANION - X-RAY CRYSTALLOGRAPHY OF RB3OS2BR9 AND DIRECTCOMPARISONS OF [OS2BR9]3- WITH [RU2BR9]3-
Authors: GHELLER SF HEATH GA HOCKLESS DCR HUMPHREY DG MCGRADY JE
Citation: Sf. Gheller et al., MOLECULAR AND ELECTRONIC-STRUCTURE OF THE CONFACIAL DIOSMIUM(III) NONABROMIDE COMPLEX ANION - X-RAY CRYSTALLOGRAPHY OF RB3OS2BR9 AND DIRECTCOMPARISONS OF [OS2BR9]3- WITH [RU2BR9]3-, Inorganic chemistry, 33(18), 1994, pp. 3986-3989
Risultati: 1-24 |