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Distribution of electron orbits having a definite angular momentum in a static magnetic field
作者S. Olszewski
DOI:10.1002/(sici)1097-461x(1996)57:1<35::aid-qua4>3.0.co;2-#
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On the conjoint gradient correction to the Hartree—Fock kinetic and exchange energy density functionals
作者José L. Gázquez; Juvencio Robles
DOI:10.1002/(sici)1097-461x(1996)57:1<3::aid-qua1>3.0.co;2-1
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Structure of the optimized effective Kohn—Sham exchange potential and its gradient approximations
作者Oleg Gritsenko; Robert van Leeuwen; Evert Jan Baerends
DOI:10.1002/(sici)1097-461x(1996)57:1<17::aid-qua3>3.0.co;2-1
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Molecular polarization potential maps of the nucleic acid bases
作者Ibon Alkorta; Juan J. Perez
DOI:10.1002/(sici)1097-461x(1996)57:1<123::aid-qua14>3.0.co;2-9
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Properties of non-Bloch LCAO wave functions for cubic crystals in the presence of an external electric field
作者S. Olszewski; T. Kwiatkowski
DOI:10.1002/(sici)1097-461x(1996)57:1<113::aid-qua13>3.0.co;2-9
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Chemisorption of hydrogen and oxygen atoms on a cobalt surface: A quantum chemical cluster model study
作者Ole Swang; Knut Faegri Jr.; Odd Gropen; Ulf Wahlgren
DOI:10.1002/(sici)1097-461x(1996)57:1<105::aid-qua12>3.0.co;2-7
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Comparisons of CBS-q and G2 calculations on thermodynamic properties, transition states, and kinetics of dimethyl-ether + O2 reaction system
作者T. Yamada; J. W. Bozzelli; T. H. Lay
DOI:10.1002/(sici)1097-4601(2000)32:7<435::aid-kin6>3.0.co;2-4
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Kinetics of 1,3-dipolar cycloaddition reaction between C,N-diphenylnitrone and dimethyl fumarate in various solvents and aqueous solutions
作者M. R. Gholami; A. Habibi Yangjeh
DOI:10.1002/(sici)1097-4601(2000)32:7<431::aid-kin5>3.0.co;2-j
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Electrochemical determination of rate constants and product yields for the spontaneous dediazoniation of p-nitrobenzenediazonium tetrafluoroborate in acidic aqueous solution
作者Ma Emma Romero-Nieto; Carlos Bravo-Díaz; Beatriz Malvido-Hermelo; Elisa González-Romero
DOI:10.1002/(sici)1097-4601(2000)32:7<419::aid-kin4>3.0.co;2-0
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Kinetic study of the Ce(III)-, Mn(II)-, or ferroin-catalyzed Belousov-Zhabotinsky reaction with pyruvic acid
作者Hsing-Lien Lin; Yueh-O Yu; Jing-Jer Jwo
DOI:10.1002/(sici)1097-4601(2000)32:7<408::aid-kin3>3.0.co;2-7
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Gas-phase pyrolytic reactions of N-ethyl, N-isopropyl, and N-t-butyl substituted 2-aminopyrazine and 2-aminopyrimidine
作者Nouria A. Al-Awadi; Osman M. E. El-Dusouqui; Kamini Kaul; Hicham H. Dib
DOI:10.1002/(sici)1097-4601(2000)32:7<403::aid-kin2>3.0.co;2-p
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Kinetics and mechanism of the reaction between hypochlorous acid and tetrathionate ion
作者Attila K. Horváth; István Nagypál
DOI:10.1002/(sici)1097-4601(2000)32:7<395::aid-kin1>3.0.co;2-g
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Study of the bromide oxidation by bromate in zwitterionic micellar solutions
作者Amalia Rodríguez; Maria Del Mar Graciani; María Muñoz; Maria Luisa Moyá
DOI:10.1002/(sici)1097-4601(2000)32:6<388::aid-kin5>3.0.co;2-#
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The solvent effects in the reactions of carboxylic acids with oxiranes. 1. Kinetics of the reaction of acetic acid with epichlorohydrin in butan-1-ol
作者Wiktor Bukowski
DOI:10.1002/(sici)1097-4601(2000)32:6<378::aid-kin4>3.0.co;2-3
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Experimental and kinetic modeling of the reduction of NO by isobutane in a Jsr at 1 atm
作者Philippe Dagaut; Jocelyn Luche; Michel Cathonnet
DOI:10.1002/(sici)1097-4601(2000)32:6<365::aid-kin3>3.0.co;2-g
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The hetero-homogeneous pyrolysis of propane, in the presence or in the absence of dihydrogen, and the measurement of uptake coefficients of hydrogen atoms
作者D. Perrin; R. Martin
DOI:10.1002/(sici)1097-4601(2000)32:6<340::aid-kin2>3.0.co;2-#
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Kinetic modeling of the CO/H2O/O2/NO/SO2 system: Implications for high-pressure fall-off in the SO2 + O(+M) = SO3(+M) reaction
作者M. A. Mueller; R. A. Yetter; F. L. Dryer
DOI:10.1002/(sici)1097-4601(2000)32:6<317::aid-kin1>3.0.co;2-l
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Rate constant and RRKM product study for the reaction between CH3 and C2H3 at T = 298 K
作者R. Peyton Thorn; Jr.; Walter A. Payne; Jr.; Xavier D. F. Chillier; Louis J. Stief; Fred L. Nesbitt; D. C. Tardy
DOI:10.1002/(sici)1097-4601(2000)32:5<304::aid-kin6>3.0.co;2-j
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Gas phase rate coefficients and activation energies for the reaction of butanal and 2-methyl-propanal with nitrate radicals
作者Maria Ullerstam; Sarka Langer; Evert Ljungström
DOI:10.1002/(sici)1097-4601(2000)32:5<294::aid-kin5>3.0.co;2-g
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Kinetics and mechanism of oxidation of ethylenediamine and related compounds by diperiodatoargentate (III) ion
作者Anil Kumar; Vaishali; P. Ramamurthy
DOI:10.1002/(sici)1097-4601(2000)32:5<286::aid-kin4>3.0.co;2-e