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Results: 1-25 | 26-50 | 51-59
Results: 1-25/59
NITROGEN-FIXATION BY NITROGENASES - A QUANTUM-CHEMICAL STUDY
Authors: SIEGBAHN PEM WESTERBERG J SVENSSON M CRABTREE RH
Citation: Pem. Siegbahn et al., NITROGEN-FIXATION BY NITROGENASES - A QUANTUM-CHEMICAL STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 102(9), 1998, pp. 1615-1623
PERFLUOROALKANE PHOTODEFLUORINATION VIA MERCURY PHOTOSENSITIZATION - EXPERIMENTAL AND THEORETICAL ASPECTS
Authors: BURDENIUC J SIEGBAHN PEM CRABTREE RH
Citation: J. Burdeniuc et al., PERFLUOROALKANE PHOTODEFLUORINATION VIA MERCURY PHOTOSENSITIZATION - EXPERIMENTAL AND THEORETICAL ASPECTS, New journal of chemistry, 22(5), 1998, pp. 503-510
STATISTICAL MODELING OF GAS-PHASE ORGANOMETALLIC REACTIONS BASED ON DENSITY-FUNCTIONAL THEORY - NI++C3H8
Authors: YI SS BLOMBERG MRA SIEGBAHN PEM WEISSHAAR JC
Citation: Ss. Yi et al., STATISTICAL MODELING OF GAS-PHASE ORGANOMETALLIC REACTIONS BASED ON DENSITY-FUNCTIONAL THEORY - NI++C3H8, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(2), 1998, pp. 395-411
HYDRATION OF BERYLLIUM, MAGNESIUM, CALCIUM, AND ZINC IONS USING DENSITY-FUNCTIONAL THEORY
Authors: PAVLOV M SIEGBAHN PEM SANDSTROM M
Citation: M. Pavlov et al., HYDRATION OF BERYLLIUM, MAGNESIUM, CALCIUM, AND ZINC IONS USING DENSITY-FUNCTIONAL THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(1), 1998, pp. 219-228
MECHANISM OF METHANE MONOOXYGENASE - A STRUCTURAL AND QUANTUM-CHEMICAL PERSPECTIVE
Authors: SIEGBAHN PEM CRABTREE RH NORDLUND P
Citation: Pem. Siegbahn et al., MECHANISM OF METHANE MONOOXYGENASE - A STRUCTURAL AND QUANTUM-CHEMICAL PERSPECTIVE, JBIC. Journal of biological inorganic chemistry, 3(3), 1998, pp. 314-317
A COMPARISON OF ELECTRON-TRANSFER IN RIBONUCLEOTIDE REDUCTASE AND THEBACTERIAL PHOTOSYNTHETIC REACTION-CENTER
Authors: SIEGBAHN PEM BLOMBERG MRA PAVLOV M
Citation: Pem. Siegbahn et al., A COMPARISON OF ELECTRON-TRANSFER IN RIBONUCLEOTIDE REDUCTASE AND THEBACTERIAL PHOTOSYNTHETIC REACTION-CENTER, Chemical physics letters, 292(4-6), 1998, pp. 421-430
MODELING ELECTRON-TRANSFER IN BIOCHEMISTRY - A QUANTUM-CHEMICAL STUDYOF CHARGE SEPARATION IN RHODOBACTER-SPHAEROIDES AND PHOTOSYSTEM-II
Authors: BLOMBERG MRA SIEGBAHN PEM BABCOCK GT
Citation: Mra. Blomberg et al., MODELING ELECTRON-TRANSFER IN BIOCHEMISTRY - A QUANTUM-CHEMICAL STUDYOF CHARGE SEPARATION IN RHODOBACTER-SPHAEROIDES AND PHOTOSYSTEM-II, Journal of the American Chemical Society, 120(34), 1998, pp. 8812-8824
THEORETICAL-STUDY OF THE SUBSTRATE MECHANISM OF RIBONUCLEOTIDE REDUCTASE
Authors: SIEGBAHN PEM
Citation: Pem. Siegbahn, THEORETICAL-STUDY OF THE SUBSTRATE MECHANISM OF RIBONUCLEOTIDE REDUCTASE, Journal of the American Chemical Society, 120(33), 1998, pp. 8417-8429
MECHANISM OF H-H ACTIVATION BY NICKEL-IRON HYDROGENASE
Authors: PAVLOV M SIEGBAHN PEM BLOMBERG MRA CRABTREE RH
Citation: M. Pavlov et al., MECHANISM OF H-H ACTIVATION BY NICKEL-IRON HYDROGENASE, Journal of the American Chemical Society, 120(3), 1998, pp. 548-555
A COMPARATIVE-STUDY OF HIGH-SPIN MANGANESE AND IRON COMPLEXES
Authors: BLOMBERG MRA SIEGBAHN PEM
Citation: Mra. Blomberg et Pem. Siegbahn, A COMPARATIVE-STUDY OF HIGH-SPIN MANGANESE AND IRON COMPLEXES, Theoretical chemistry accounts, 97(1-4), 1997, pp. 72-80
HYDROGEN-TRANSFER IN THE PRESENCE OF AMINO-ACID RADICALS
Authors: SIEGBAHN PEM BLOMBERG MRA CRABTREE RH
Citation: Pem. Siegbahn et al., HYDROGEN-TRANSFER IN THE PRESENCE OF AMINO-ACID RADICALS, Theoretical chemistry accounts, 97(1-4), 1997, pp. 289-300
PT-CATALYZED OXIDATION OF METHANE - THEORY AND EXPERIMENT()
Authors: PAVLOV M BLOMBERG MRA SIEGBAHN PEM WESENDRUP R HEINEMANN C SCHWARZ H
Citation: M. Pavlov et al., PT-CATALYZED OXIDATION OF METHANE - THEORY AND EXPERIMENT(), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(8), 1997, pp. 1567-1579
ELECTRONIC AND MAGNETIC-PROPERTIES OF NEUTRAL AND CHARGED QUINONE ANDPLASTOQUINONE RADICALS
Authors: ERIKSSON LA HIMO F SIEGBAHN PEM BABCOCK GT
Citation: La. Eriksson et al., ELECTRONIC AND MAGNETIC-PROPERTIES OF NEUTRAL AND CHARGED QUINONE ANDPLASTOQUINONE RADICALS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(49), 1997, pp. 9496-9504
TRENDS WITHIN A TRIAD - COMPARISON BETWEEN SIGMA-ALKYL COMPLEXES OF NICKEL, PALLADIUM AND PLATINUM WITH RESPECT TO ASSOCIATION OF ETHYLENE,MIGRATORY INSERTION AND BETA-HYDRIDE ELIMINATION - A THEORETICAL-STUDY
Authors: STROMBERG S ZETTERBERG K SIEGBAHN PEM
Citation: S. Stromberg et al., TRENDS WITHIN A TRIAD - COMPARISON BETWEEN SIGMA-ALKYL COMPLEXES OF NICKEL, PALLADIUM AND PLATINUM WITH RESPECT TO ASSOCIATION OF ETHYLENE,MIGRATORY INSERTION AND BETA-HYDRIDE ELIMINATION - A THEORETICAL-STUDY, Journal of the Chemical Society. Dalton transactions, (22), 1997, pp. 4147-4152
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
ORIGIN OF SOLVENT ACCELERATION IN ORGANOLITHIUM METAL-HALOGEN EXCHANGE-REACTIONS
Authors: JEDLICKA B CRABTREE RH SIEGBAHN PEM
Citation: B. Jedlicka et al., ORIGIN OF SOLVENT ACCELERATION IN ORGANOLITHIUM METAL-HALOGEN EXCHANGE-REACTIONS, Organometallics, 16(26), 1997, pp. 6021-6023
THE C-H ACTIVATION REACTION OF METHANE FOR ALL TRANSITION-METAL ATOMSFROM THE 3 TRANSITION ROWS
Authors: WITTBORN AMC COSTAS M BLOMBERG MRA SIEGBAHN PEM
Citation: Amc. Wittborn et al., THE C-H ACTIVATION REACTION OF METHANE FOR ALL TRANSITION-METAL ATOMSFROM THE 3 TRANSITION ROWS, The Journal of chemical physics, 107(11), 1997, pp. 4318-4328
A QUANTUM-CHEMICAL STUDY OF HYDROGEN ABSTRACTION FROM MANGANESE-COORDINATED WATER BY A TYROSYL RADICAL - A MODEL FOR WATER OXIDATION IN PHOTOSYSTEM-II
Authors: BLOMBERG MRA SIEGBAHN PEM STYRING S BABCOCK GT AKERMARK B KORALL P
Citation: Mra. Blomberg et al., A QUANTUM-CHEMICAL STUDY OF HYDROGEN ABSTRACTION FROM MANGANESE-COORDINATED WATER BY A TYROSYL RADICAL - A MODEL FOR WATER OXIDATION IN PHOTOSYSTEM-II, Journal of the American Chemical Society, 119(35), 1997, pp. 8285-8292
MECHANISM OF C-H ACTIVATION BY DIIRON METHANE MONOOXYGENASES - QUANTUM-CHEMICAL STUDIES
Authors: SIEGBAHN PEM CRABTREE RH
Citation: Pem. Siegbahn et Rh. Crabtree, MECHANISM OF C-H ACTIVATION BY DIIRON METHANE MONOOXYGENASES - QUANTUM-CHEMICAL STUDIES, Journal of the American Chemical Society, 119(13), 1997, pp. 3103-3113
CONSEQUENCES OF THE FORMATION ORGANOMETALLIC EXCIPLEX [HG(ETA-2-ARENE)] IN MERCURY-PHOTOSENSITIZED REACTIONS OF ARENES - C-C, C-O, AND C-N BOND-CLEAVAGE
Authors: FOWLEY LA LEE JC CRABTREE RH SIEGBAHN PEM
Citation: La. Fowley et al., CONSEQUENCES OF THE FORMATION ORGANOMETALLIC EXCIPLEX [HG(ETA-2-ARENE)] IN MERCURY-PHOTOSENSITIZED REACTIONS OF ARENES - C-C, C-O, AND C-N BOND-CLEAVAGE, Organometallics, 15(4), 1996, pp. 1157-1165
INTRINSIC APTITUDE OF CATIONIC METHYLPALLADIUM AND ETHYLPALLADIUM TO ASSOCIATE ETHYLENE AND TO FURTHER UNDERGO SUBSEQUENT MIGRATORY INSERTION - A THEORETICAL-STUDY
Authors: SIEGBAHN PEM STROMBERG S ZETTERBERG K
Citation: Pem. Siegbahn et al., INTRINSIC APTITUDE OF CATIONIC METHYLPALLADIUM AND ETHYLPALLADIUM TO ASSOCIATE ETHYLENE AND TO FURTHER UNDERGO SUBSEQUENT MIGRATORY INSERTION - A THEORETICAL-STUDY, Organometallics, 15(26), 1996, pp. 5542-5550
SOLVENT EFFECTS ON THE RELATIVE STABILITY OF THE PDCL2(H2O)(N) AND PDHCL(H2O)(N) CIS AND TRANS ISOMERS
Authors: SIEGBAHN PEM CRABTREE RH
Citation: Pem. Siegbahn et Rh. Crabtree, SOLVENT EFFECTS ON THE RELATIVE STABILITY OF THE PDCL2(H2O)(N) AND PDHCL(H2O)(N) CIS AND TRANS ISOMERS, Molecular physics, 89(1), 1996, pp. 279-296
2, 3, AND 4 WATER CHAIN MODELS FOR THE NUCLEOPHILIC-ADDITION STEP IN THE WACKER PROCESS
Authors: SIEGBAHN PEM
Citation: Pem. Siegbahn, 2, 3, AND 4 WATER CHAIN MODELS FOR THE NUCLEOPHILIC-ADDITION STEP IN THE WACKER PROCESS, Journal of physical chemistry, 100(35), 1996, pp. 14672-14680
COMPARISON OF RESULTS FROM PARAMETRIZED CONFIGURATION-INTERACTION (PCI-80) AND FROM HYBRID DENSITY-FUNCTIONAL THEORY WITH EXPERIMENTS FOR FIRST-ROW TRANSITION-METAL COMPOUNDS
Authors: BLOMBERG MRA SIEGBAHN PEM SVENSSON M
Citation: Mra. Blomberg et al., COMPARISON OF RESULTS FROM PARAMETRIZED CONFIGURATION-INTERACTION (PCI-80) AND FROM HYBRID DENSITY-FUNCTIONAL THEORY WITH EXPERIMENTS FOR FIRST-ROW TRANSITION-METAL COMPOUNDS, The Journal of chemical physics, 104(23), 1996, pp. 9546-9554
COMPARISON OF THE C-H ACTIVATION OF METHANE BY M(C5H5)(CO) FOR M=COBALT, RHODIUM, AND IRIDIUM
Authors: SIEGBAHN PEM
Citation: Pem. Siegbahn, COMPARISON OF THE C-H ACTIVATION OF METHANE BY M(C5H5)(CO) FOR M=COBALT, RHODIUM, AND IRIDIUM, Journal of the American Chemical Society, 118(6), 1996, pp. 1487-1496
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