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Results: 1-25 | 26-39
Results: 1-25/39
THEORETICAL-STUDIES OF CO ADSORPTION ON SI(100)-2X1 SURFACE
Authors: BACALZO FT MUSAEV DG LIN MC
Citation: Ft. Bacalzo et al., THEORETICAL-STUDIES OF CO ADSORPTION ON SI(100)-2X1 SURFACE, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2221-2225
MOLECULAR-ORBITAL STUDY OF H-2 AND CH4 ACTIVATION ON SMALL METAL-CLUSTERS - 2 - PD-3 AND PT-3
Authors: CUI Q MUSAEV DG MOROKUMA K
Citation: Q. Cui et al., MOLECULAR-ORBITAL STUDY OF H-2 AND CH4 ACTIVATION ON SMALL METAL-CLUSTERS - 2 - PD-3 AND PT-3, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(31), 1998, pp. 6373-6384
MOLECULAR-ORBITAL AND IMOMM STUDIES OF THE CHAIN TRANSFER MECHANISMS OF THE DIIMINE-M(II)-CATALYZED (M = NI, PD) ETHYLENE POLYMERIZATION REACTION
Authors: MUSAEV DG FROESE RDJ MOROKUMA K
Citation: Dg. Musaev et al., MOLECULAR-ORBITAL AND IMOMM STUDIES OF THE CHAIN TRANSFER MECHANISMS OF THE DIIMINE-M(II)-CATALYZED (M = NI, PD) ETHYLENE POLYMERIZATION REACTION, Organometallics, 17(9), 1998, pp. 1850-1860
DENSITY-FUNCTIONAL STUDY ON THE MECHANISM OF PALLADIUM(0)-CATALYZED THIOBORATION REACTION OF ALKYNES - DIFFERENCES BETWEEN PD(0) AND PT(0) CATALYSTS AND BETWEEN THIOBORATION AND DIBORATION
Authors: CUI Q MUSAEV DG MOROKUMA K
Citation: Q. Cui et al., DENSITY-FUNCTIONAL STUDY ON THE MECHANISM OF PALLADIUM(0)-CATALYZED THIOBORATION REACTION OF ALKYNES - DIFFERENCES BETWEEN PD(0) AND PT(0) CATALYSTS AND BETWEEN THIOBORATION AND DIBORATION, Organometallics, 17(7), 1998, pp. 1383-1392
WHY DO PT(PR3)(2) COMPLEXES CATALYZE THE ALKYNE DIBORATION REACTION, BUT THEIR PALLADIUM ANALOGS DO NOT - A DENSITY-FUNCTIONAL STUDY
Authors: CUI Q MUSAEV DG MOROKUMA K
Citation: Q. Cui et al., WHY DO PT(PR3)(2) COMPLEXES CATALYZE THE ALKYNE DIBORATION REACTION, BUT THEIR PALLADIUM ANALOGS DO NOT - A DENSITY-FUNCTIONAL STUDY, Organometallics, 17(4), 1998, pp. 742-751
MOLECULAR-ORBITAL STUDY OF H-2 AND CH4 ACTIVATION ON SMALL METAL-CLUSTERS - I - PT, PD, PT-2, AND PD-2
Authors: CUI Q MUSAEV DG MOROKUMA K
Citation: Q. Cui et al., MOLECULAR-ORBITAL STUDY OF H-2 AND CH4 ACTIVATION ON SMALL METAL-CLUSTERS - I - PT, PD, PT-2, AND PD-2, The Journal of chemical physics, 108(20), 1998, pp. 8418-8428
AB-INITIO CALCULATIONS ON THE DIACETYLENE DIMER - HCCCC(H)C(H)CCCH
Authors: CARDELINO BH MOORE CE FRAZIER DO MUSAEV DG MOROKUMA K
Citation: Bh. Cardelino et al., AB-INITIO CALCULATIONS ON THE DIACETYLENE DIMER - HCCCC(H)C(H)CCCH, International journal of quantum chemistry, 66(3), 1998, pp. 189-202
4-COORDINATE MOLYBDENUM CHALCOGENIDE COMPLEXES RELEVANT TO NITROUS-OXIDE N-N BOND-CLEAVAGE BY 3-COORDINATE MOLYBDENUM(III) - SYNTHESIS, CHARACTERIZATION, REACTIVITY, AND THERMOCHEMISTRY
Authors: JOHNSON AR DAVIS WM CUMMINS CC SERRON S NOLAN SP MUSAEV DG MOROKUMA K
Citation: Ar. Johnson et al., 4-COORDINATE MOLYBDENUM CHALCOGENIDE COMPLEXES RELEVANT TO NITROUS-OXIDE N-N BOND-CLEAVAGE BY 3-COORDINATE MOLYBDENUM(III) - SYNTHESIS, CHARACTERIZATION, REACTIVITY, AND THERMOCHEMISTRY, Journal of the American Chemical Society, 120(9), 1998, pp. 2071-2085
THEORETICAL-STUDY OF SUBSTITUENT EFFECTS IN THE DIIMINE-M(II) CATALYZED ETHYLENE POLYMERIZATION REACTION USING THE IMOMM METHOD
Authors: FROESE RDJ MUSAEV DG MOROKUMA K
Citation: Rdj. Froese et al., THEORETICAL-STUDY OF SUBSTITUENT EFFECTS IN THE DIIMINE-M(II) CATALYZED ETHYLENE POLYMERIZATION REACTION USING THE IMOMM METHOD, Journal of the American Chemical Society, 120(7), 1998, pp. 1581-1587
TRANSITION-METAL-CATALYZED OLEFIN POLYMERITATION REACTIONS - A THEORETICAL COMPARISON OF MECHANISMS FOR DIIMINE-MN(II) (M = NI, PD, AND PT)AND ZIRCONOCENE CATALYSTS
Authors: MUSAEV DG FROESE RDJ MOROKUMA K
Citation: Dg. Musaev et al., TRANSITION-METAL-CATALYZED OLEFIN POLYMERITATION REACTIONS - A THEORETICAL COMPARISON OF MECHANISMS FOR DIIMINE-MN(II) (M = NI, PD, AND PT)AND ZIRCONOCENE CATALYSTS, New journal of chemistry, 21(12), 1997, pp. 1269-1282
DENSITY-FUNCTIONAL STUDY OF THE MECHANISM OF THE PALLADIUM(II)-CATALYZED ETHYLENE POLYMERIZATION REACTION
Authors: MUSAEV DG SVENSSON M MOROKUMA K STROMBERG S ZETTERBERG K SIEGBAHN PEM
Citation: Dg. Musaev et al., DENSITY-FUNCTIONAL STUDY OF THE MECHANISM OF THE PALLADIUM(II)-CATALYZED ETHYLENE POLYMERIZATION REACTION, Organometallics, 16(9), 1997, pp. 1933-1945
MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF PLATINUM(0)-CATALYZED ALKENE AND ALKYNE DIBORATION REACTIONS
Authors: CUI Q MUSAEV DG MOROKUMA K
Citation: Q. Cui et al., MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF PLATINUM(0)-CATALYZED ALKENE AND ALKYNE DIBORATION REACTIONS, Organometallics, 16(7), 1997, pp. 1355-1364
AB-INITIO MO STUDY OF THE FULL CYCLE OF OLEFIN HYDROFORMYLATION CATALYZED BY A RHODIUM COMPLEX, RHH(CO)(2)(PH3)(2)
Authors: MATSUBARA T KOGA N DING YB MUSAEV DG MOROKUMA K
Citation: T. Matsubara et al., AB-INITIO MO STUDY OF THE FULL CYCLE OF OLEFIN HYDROFORMYLATION CATALYZED BY A RHODIUM COMPLEX, RHH(CO)(2)(PH3)(2), Organometallics, 16(5), 1997, pp. 1065-1078
MOLECULAR-ORBITAL STUDY OF COMPLEXES OF ZINC(II) WITH IMIDAZOLE AND WATER-MOLECULES
Authors: CINI R MUSAEV DG MARZILLI LG MOROKUMA K
Citation: R. Cini et al., MOLECULAR-ORBITAL STUDY OF COMPLEXES OF ZINC(II) WITH IMIDAZOLE AND WATER-MOLECULES, Journal of molecular structure. Theochem, 392, 1997, pp. 55-64
THEORETICAL-STUDIES OF ETHYLENE POLYMERIZATION REACTIONS CATALYZED BYZIRCONIUM AND TITANIUM CHELATING ALKOXIDE COMPLEXES
Authors: FROESE RDJ MUSAEV DG MATSUBARA T MOROKUMA K
Citation: Rdj. Froese et al., THEORETICAL-STUDIES OF ETHYLENE POLYMERIZATION REACTIONS CATALYZED BYZIRCONIUM AND TITANIUM CHELATING ALKOXIDE COMPLEXES, Journal of the American Chemical Society, 119(31), 1997, pp. 7190-7196
A DENSITY-FUNCTIONAL STUDY OF THE MECHANISM OF THE DIIMINE-NICKEL-CATALYZED ETHYLENE POLYMERIZATION REACTION
Authors: MUSAEV DG FROESE RDJ SVENSSON M MOROKUMA K
Citation: Dg. Musaev et al., A DENSITY-FUNCTIONAL STUDY OF THE MECHANISM OF THE DIIMINE-NICKEL-CATALYZED ETHYLENE POLYMERIZATION REACTION, Journal of the American Chemical Society, 119(2), 1997, pp. 367-374
MOLECULAR-ORBITAL STUDY OF THE REACTION-MECHANISM OF SC- COMPARISON OF THE REACTIVITY OF EARLY AND LATE FIRST-ROW TRANSITION-METAL CATIONS AND THEIR CARBENE COMPLEXES( WITH METHANE )
Authors: MUSAEV DG MOROKUMA K
Citation: Dg. Musaev et K. Morokuma, MOLECULAR-ORBITAL STUDY OF THE REACTION-MECHANISM OF SC- COMPARISON OF THE REACTIVITY OF EARLY AND LATE FIRST-ROW TRANSITION-METAL CATIONS AND THEIR CARBENE COMPLEXES( WITH METHANE ), Journal of physical chemistry, 100(28), 1996, pp. 11600-11609
ANALYTICAL 2ND DERIVATIVES FOR EFFECTIVE CORE POTENTIAL - APPLICATIONTO TRANSITION STRUCTURES OF CP(2)RU(2)(MU-H)(4) AND TO THE MECHANISM OF REACTION CU+CH(2)N(2)
Authors: CUI Q MUSAEV DG SVENSSON M MOROKUMA K
Citation: Q. Cui et al., ANALYTICAL 2ND DERIVATIVES FOR EFFECTIVE CORE POTENTIAL - APPLICATIONTO TRANSITION STRUCTURES OF CP(2)RU(2)(MU-H)(4) AND TO THE MECHANISM OF REACTION CU+CH(2)N(2), Journal of physical chemistry, 100(26), 1996, pp. 10936-10944
STRUCTURE, STABILITY, AND BONDING OF TRANSITION-METAL-BORYL COMPLEXES- A MOLECULAR-ORBITAL STUDY
Authors: MUSAEV DG MOROKUMA K
Citation: Dg. Musaev et K. Morokuma, STRUCTURE, STABILITY, AND BONDING OF TRANSITION-METAL-BORYL COMPLEXES- A MOLECULAR-ORBITAL STUDY, Journal of physical chemistry, 100(16), 1996, pp. 6509-6517
THEORY DOES NOT SUPPORT AN OSMAOXETANE INTERMEDIATE IN THE OSMIUM-CATALYZED DIHYDROXYLATION OF OLEFINS
Authors: DAPPRICH S UJAQUE G MASERAS F LLEDOS A MUSAEV DG MOROKUMA K
Citation: S. Dapprich et al., THEORY DOES NOT SUPPORT AN OSMAOXETANE INTERMEDIATE IN THE OSMIUM-CATALYZED DIHYDROXYLATION OF OLEFINS, Journal of the American Chemical Society, 118(46), 1996, pp. 11660-11661
UNUSUAL P-31 CHEMICAL SHIELDING TENSORS IN TERMINAL PHOSPHIDO COMPLEXES CONTAINING A PHOSPHORUS-METAL TRIPLE BOND
Authors: WU G ROVNYAK D JOHNSON MJA ZANETTI NC MUSAEV DG MOROKUMA K SCHROCK RR GRIFFIN RG CUMMINS CC
Citation: G. Wu et al., UNUSUAL P-31 CHEMICAL SHIELDING TENSORS IN TERMINAL PHOSPHIDO COMPLEXES CONTAINING A PHOSPHORUS-METAL TRIPLE BOND, Journal of the American Chemical Society, 118(43), 1996, pp. 10654-10655
DOES THE TETRAHYDROBORATE SPECIES AUBH4 EXIST - AB-INITIO MO STUDY OFTHE STRUCTURE AND STABILITY OF CUBH4, AGBH4, AND AUBH4
Authors: MUSAEV DG MOROKUMA K
Citation: Dg. Musaev et K. Morokuma, DOES THE TETRAHYDROBORATE SPECIES AUBH4 EXIST - AB-INITIO MO STUDY OFTHE STRUCTURE AND STABILITY OF CUBH4, AGBH4, AND AUBH4, Organometallics, 14(7), 1995, pp. 3327-3334
AB-INITIO MOLECULAR-ORBITAL STUDIES OF ELEMENTARY REACTIONS AND HOMOGENEOUS CATALYTIC CYCLES WITH ORGANOMETALLIC COMPOUNDS
Authors: MUSAEV DG MATSUBARA T MEBEL AM KOGA N MOROKUMA K
Citation: Dg. Musaev et al., AB-INITIO MOLECULAR-ORBITAL STUDIES OF ELEMENTARY REACTIONS AND HOMOGENEOUS CATALYTIC CYCLES WITH ORGANOMETALLIC COMPOUNDS, Pure and applied chemistry, 67(2), 1995, pp. 257-263
AB-INITIO MOLECULAR-ORBITAL STUDY OF OXIDATIVE ADDITION OF H-2 AND CH4 TO THE RHCL(CO)(PH3)(2) COMPLEX
Authors: MUSAEV DG MOROKUMA K
Citation: Dg. Musaev et K. Morokuma, AB-INITIO MOLECULAR-ORBITAL STUDY OF OXIDATIVE ADDITION OF H-2 AND CH4 TO THE RHCL(CO)(PH3)(2) COMPLEX, Journal of organometallic chemistry, 504(1-2), 1995, pp. 93-105
AN AB-INITIO STUDY OF THE GROUND AND FIRST EXCITED-STATE OF HCN[--]HNC ISOMERIZATION AND A CALCULATION OF THE HNC A-]X FLUORESCENCE-SPECTRUM
Authors: GAZDY B MUSAEV DG BOWMAN JM MOROKUMA K
Citation: B. Gazdy et al., AN AB-INITIO STUDY OF THE GROUND AND FIRST EXCITED-STATE OF HCN[--]HNC ISOMERIZATION AND A CALCULATION OF THE HNC A-]X FLUORESCENCE-SPECTRUM, Chemical physics letters, 237(1-2), 1995, pp. 27-32
Risultati: 1-25 | 26-39