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Results: 1-17 |
Results: 17
A UNIFIED VIEW OF ETHYLENE POLYMERIZATION BY D(0) AND D(0)F(N) TRANSITION-METALS - 1 - PRECURSOR COMPOUNDS AND OLEFIN UPTAKE ENERGETICS
Authors: MARGL P DENG LQ ZIEGLER T
Citation: P. Margl et al., A UNIFIED VIEW OF ETHYLENE POLYMERIZATION BY D(0) AND D(0)F(N) TRANSITION-METALS - 1 - PRECURSOR COMPOUNDS AND OLEFIN UPTAKE ENERGETICS, Organometallics, 17(5), 1998, pp. 933-946
COMPUTER DESIGN OF LIVING OLEFIN POLYMERIZATION CATALYSTS - A COMBINED DENSITY-FUNCTIONAL THEORY AND MOLECULAR MECHANICS STUDY
Authors: DENG LQ ZIEGLER T WOO TK MARGL P FAN LY
Citation: Lq. Deng et al., COMPUTER DESIGN OF LIVING OLEFIN POLYMERIZATION CATALYSTS - A COMBINED DENSITY-FUNCTIONAL THEORY AND MOLECULAR MECHANICS STUDY, Organometallics, 17(15), 1998, pp. 3240-3253
A DENSITY-FUNCTIONAL STUDY OF [2-OXYGEN BONDS IN CHROMYL CHLORIDE(3]ADDITION VERSUS [2+2]ADDITION OF ETHYLENE TO CHROMIUM)
Authors: TORRENT M DENG LQ ZIEGLER T
Citation: M. Torrent et al., A DENSITY-FUNCTIONAL STUDY OF [2-OXYGEN BONDS IN CHROMYL CHLORIDE(3]ADDITION VERSUS [2+2]ADDITION OF ETHYLENE TO CHROMIUM), Inorganic chemistry, 37(6), 1998, pp. 1307-1314
A UNIFIED VIEW OF ETHYLENE POLYMERIZATION BY D(0) AND D(0)F(N) TRANSITION-METALS - PART 2 - CHAIN PROPAGATION
Authors: MARGL P DENG LQ ZIEGLER T
Citation: P. Margl et al., A UNIFIED VIEW OF ETHYLENE POLYMERIZATION BY D(0) AND D(0)F(N) TRANSITION-METALS - PART 2 - CHAIN PROPAGATION, Journal of the American Chemical Society, 120(22), 1998, pp. 5517-5525
THEORETICAL-STUDY OF THE OXIDATION OF ALCOHOL TO ALDEHYDE BY D(0) TRANSITION-METAL-OXO COMPLEXES - COMBINED APPROACH BASED ON DENSITY-FUNCTIONAL THEORY AND THE INTRINSIC REACTION COORDINATE METHOD
Authors: DENG LQ ZIEGLER T
Citation: Lq. Deng et T. Ziegler, THEORETICAL-STUDY OF THE OXIDATION OF ALCOHOL TO ALDEHYDE BY D(0) TRANSITION-METAL-OXO COMPLEXES - COMBINED APPROACH BASED ON DENSITY-FUNCTIONAL THEORY AND THE INTRINSIC REACTION COORDINATE METHOD, Organometallics, 16(4), 1997, pp. 716-724
DENSITY-FUNCTIONAL STUDY OF THE [2-CYCLOADDITION AND [2+3]-CYCLOADDITION MECHANISMS FOR THE OSMIUM-CATALYZED DIHYDROXYLATION OF OLEFINS(2])
Authors: TORRENT M DENG LQ DURAN M SOLA M ZIEGLER T
Citation: M. Torrent et al., DENSITY-FUNCTIONAL STUDY OF THE [2-CYCLOADDITION AND [2+3]-CYCLOADDITION MECHANISMS FOR THE OSMIUM-CATALYZED DIHYDROXYLATION OF OLEFINS(2]), Organometallics, 16(1), 1997, pp. 13-19
A DENSITY-FUNCTIONAL STUDY OF NICKEL(II) DIIMIDE CATALYZED POLYMERIZATION OF ETHYLENE
Authors: DENG LQ MARGL P ZIEGLER T
Citation: Lq. Deng et al., A DENSITY-FUNCTIONAL STUDY OF NICKEL(II) DIIMIDE CATALYZED POLYMERIZATION OF ETHYLENE, Journal of the American Chemical Society, 119(5), 1997, pp. 1094-1100
THE ROLE OF BULKY SUBSTITUENTS IN BROOKHART-TYPE NI(II) DIIMINE CATALYZED OLEFIN POLYMERIZATION - A COMBINED DENSITY-FUNCTIONAL THEORY AND MOLECULAR MECHANICS STUDY
Authors: DENG LQ WOO TK CAVALLO L MARGL PM ZIEGLER T
Citation: Lq. Deng et al., THE ROLE OF BULKY SUBSTITUENTS IN BROOKHART-TYPE NI(II) DIIMINE CATALYZED OLEFIN POLYMERIZATION - A COMBINED DENSITY-FUNCTIONAL THEORY AND MOLECULAR MECHANICS STUDY, Journal of the American Chemical Society, 119(26), 1997, pp. 6177-6186
A DENSITY-FUNCTIONAL STUDY OF BETA-HYDRIDE AND METHYL MIGRATORY INSERTION IN CPM(PH3)(CH2CH2)R+ (M=CO, RH, IR, R=H, CH3)
Authors: HAN YZ DENG LQ ZIEGLER T
Citation: Yz. Han et al., A DENSITY-FUNCTIONAL STUDY OF BETA-HYDRIDE AND METHYL MIGRATORY INSERTION IN CPM(PH3)(CH2CH2)R+ (M=CO, RH, IR, R=H, CH3), Journal of the American Chemical Society, 119(25), 1997, pp. 5939-5945
DENSITY-FUNCTIONAL STUDY OF C-H AND O-H BOND ACTIVATION BY TRANSITION-METAL D(0)-OXO COMPLEXES .1. THERMODYNAMIC CONSIDERATIONS
Authors: DENG LQ ZIEGLER T
Citation: Lq. Deng et T. Ziegler, DENSITY-FUNCTIONAL STUDY OF C-H AND O-H BOND ACTIVATION BY TRANSITION-METAL D(0)-OXO COMPLEXES .1. THERMODYNAMIC CONSIDERATIONS, Organometallics, 15(13), 1996, pp. 3011-3021
ON FREEDOM
Authors: DENG LQ
Citation: Lq. Deng, ON FREEDOM, Chinese studies in philosophy, 28(1), 1996, pp. 78-88
COMBINED DENSITY-FUNCTIONAL THEORY AND INTRINSIC REACTION COORDINATE STUDY ON THE CONROTATORY RING-OPENING OF CYCLOBUTENE
Authors: DENG LQ ZIEGLER T
Citation: Lq. Deng et T. Ziegler, COMBINED DENSITY-FUNCTIONAL THEORY AND INTRINSIC REACTION COORDINATE STUDY ON THE CONROTATORY RING-OPENING OF CYCLOBUTENE, Journal of physical chemistry, 99(2), 1995, pp. 612-618
A DENSITY-FUNCTIONAL STUDY ON OLEFIN INSERTION AND HYDROGEN-TRANSFER IN THE REACTION BETWEEN CL2TI-ETHYL AND ETHYLENE - POSSIBLE IMPLICATIONS FOR THE STEREOCHEMISTRY AND CHAIN TERMINATION IN OLEFIN POLYMERIZATION()
Authors: FAN LY HARRISON D DENG LQ WOO TK SWERHONE D ZIEGLER T
Citation: Ly. Fan et al., A DENSITY-FUNCTIONAL STUDY ON OLEFIN INSERTION AND HYDROGEN-TRANSFER IN THE REACTION BETWEEN CL2TI-ETHYL AND ETHYLENE - POSSIBLE IMPLICATIONS FOR THE STEREOCHEMISTRY AND CHAIN TERMINATION IN OLEFIN POLYMERIZATION(), Canadian journal of chemistry, 73(7), 1995, pp. 989-998
ROTATIONAL BARRIERS IN TRIMETHYLENEMETHANE FE(CO)2L COMPLEXES - A DENSITY-FUNCTIONAL STUDY
Authors: BRANCHADELL V DENG LQ ZEIGLER T
Citation: V. Branchadell et al., ROTATIONAL BARRIERS IN TRIMETHYLENEMETHANE FE(CO)2L COMPLEXES - A DENSITY-FUNCTIONAL STUDY, Organometallics, 13(8), 1994, pp. 3115-3119
THE DETERMINATION OF INTRINSIC REACTION COORDINATES BY DENSITY-FUNCTIONAL THEORY
Authors: DENG LQ ZIEGLER T
Citation: Lq. Deng et T. Ziegler, THE DETERMINATION OF INTRINSIC REACTION COORDINATES BY DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 52(4), 1994, pp. 731-765
POTENTIAL-ENERGY SURFACES OF THE GAS-PHASE S(N)2 REACTIONS X(-)-) (X=F, CL, BR, I) - A COMPARATIVE-STUDY BY DENSITY-FUNCTIONAL THEORY AND AB-INITIO METHODS(CH(3)X=XCH(3)+X()
Authors: DENG LQ BRANCHADELL V ZIEGLER T
Citation: Lq. Deng et al., POTENTIAL-ENERGY SURFACES OF THE GAS-PHASE S(N)2 REACTIONS X(-)-) (X=F, CL, BR, I) - A COMPARATIVE-STUDY BY DENSITY-FUNCTIONAL THEORY AND AB-INITIO METHODS(CH(3)X=XCH(3)+X(), Journal of the American Chemical Society, 116(23), 1994, pp. 10645-10656
A COMBINED DENSITY-FUNCTIONAL AND INTRINSIC REACTION COORDINATE STUDYON THE GROUND-STATE ENERGY SURFACE OF H2CO
Authors: DENG LQ ZIEGLER T FAN LY
Citation: Lq. Deng et al., A COMBINED DENSITY-FUNCTIONAL AND INTRINSIC REACTION COORDINATE STUDYON THE GROUND-STATE ENERGY SURFACE OF H2CO, The Journal of chemical physics, 99(5), 1993, pp. 3823-3835
Risultati: 1-17 |