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Results: 1-9 |
Results: 9
FACTORS CONTROLLING, RELATIVE STABILITY OF ANOMERS AND HYDROXYMETHYL CONFORMERS OF GLUCOPYRANOSE
Authors: BARROWS SE STORER JW CRAMER CJ FRENCH AD TRUHLAR DG
Citation: Se. Barrows et al., FACTORS CONTROLLING, RELATIVE STABILITY OF ANOMERS AND HYDROXYMETHYL CONFORMERS OF GLUCOPYRANOSE, Journal of computational chemistry, 19(10), 1998, pp. 1111-1129
THE VINYLCYCLOPROPANE-CYCLOPENTENE REARRANGEMENT - A PROTOTYPE THERMAL REARRANGEMENT INVOLVING COMPETING DIRADICAL CONCERTED AND STEPWISE MECHANISMS
Authors: HOUK KN NENDEL M WIEST O STORER JW
Citation: Kn. Houk et al., THE VINYLCYCLOPROPANE-CYCLOPENTENE REARRANGEMENT - A PROTOTYPE THERMAL REARRANGEMENT INVOLVING COMPETING DIRADICAL CONCERTED AND STEPWISE MECHANISMS, Journal of the American Chemical Society, 119(43), 1997, pp. 10545-10546
CLASS-IV CHARGE MODELS - A NEW SEMIEMPIRICAL APPROACH IN QUANTUM-CHEMISTRY
Authors: STORER JW GIESEN DJ CRAMER CJ TRUHLAR DG
Citation: Jw. Storer et al., CLASS-IV CHARGE MODELS - A NEW SEMIEMPIRICAL APPROACH IN QUANTUM-CHEMISTRY, Journal of computer-aided molecular design, 9(1), 1995, pp. 87-110
GENERAL SEMIEMPIRICAL QUANTUM-MECHANICAL SOLVATION MODEL FOR NONPOLARSOLVATION FREE-ENERGIES - N-HEXADECANE
Authors: GIESEN DJ STORER JW CRAMER CJ TRUHLAR DG
Citation: Dj. Giesen et al., GENERAL SEMIEMPIRICAL QUANTUM-MECHANICAL SOLVATION MODEL FOR NONPOLARSOLVATION FREE-ENERGIES - N-HEXADECANE, Journal of the American Chemical Society, 117(3), 1995, pp. 1057-1068
RECONSIDERATION OF THE STEREOELECTRONIC EFFECT IN OXYPHOSPHORANE SPECIES
Authors: UCHIMARU T TSUZUKI S STORER JW TANABE K TAIRA K
Citation: T. Uchimaru et al., RECONSIDERATION OF THE STEREOELECTRONIC EFFECT IN OXYPHOSPHORANE SPECIES, Journal of organic chemistry, 59(7), 1994, pp. 1835-1843
FULL VALENCE COMPLETE ACTIVE SPACE SCF, MULTIREFERENCE CI, AND DENSITY-FUNCTIONAL CALCULATIONS OF 1A1-3B1 SINGLET-TRIPLET GAPS FOR THE VALENCE-ISOELECTRONIC SERIES BH2-, CH2, NH2-, SIH2, PH2+, GAH2-, GEH2, ANDASH2+(, ALH2)
Authors: CRAMER CJ DULLES FJ STORER JW WORTHINGTON SE
Citation: Cj. Cramer et al., FULL VALENCE COMPLETE ACTIVE SPACE SCF, MULTIREFERENCE CI, AND DENSITY-FUNCTIONAL CALCULATIONS OF 1A1-3B1 SINGLET-TRIPLET GAPS FOR THE VALENCE-ISOELECTRONIC SERIES BH2-, CH2, NH2-, SIH2, PH2+, GAH2-, GEH2, ANDASH2+(, ALH2), Chemical physics letters, 218(5-6), 1994, pp. 387-394
THEORETICAL SECONDARY KINETIC ISOTOPE EFFECTS AND THE INTERPRETATION OF TRANSITION-STATE GEOMETRIES .2. THE DIELS-ALDER REACTION TRANSITION-STATE GEOMETRY
Authors: STORER JW RAIMONDI L HOUK KN
Citation: Jw. Storer et al., THEORETICAL SECONDARY KINETIC ISOTOPE EFFECTS AND THE INTERPRETATION OF TRANSITION-STATE GEOMETRIES .2. THE DIELS-ALDER REACTION TRANSITION-STATE GEOMETRY, Journal of the American Chemical Society, 116(21), 1994, pp. 9675-9683
PROPERTIES OF DIANIONIC OXYPHOSPHORANE INTERMEDIATES - IMPLICATION TOTHE REACTION PROFILE FOR BASE-CATALYZED RNA HYDROLYSIS
Authors: TAIRA K UCHIMARU T STORER JW YLINIEMELA A UEBAYASI M TANABE K
Citation: K. Taira et al., PROPERTIES OF DIANIONIC OXYPHOSPHORANE INTERMEDIATES - IMPLICATION TOTHE REACTION PROFILE FOR BASE-CATALYZED RNA HYDROLYSIS, Journal of organic chemistry, 58(11), 1993, pp. 3009-3017
ORIGIN OF ANOMALOUS KINETIC-PARAMETERS IN CARBENE 1,2-SHIFTS BY DIRECT DYNAMICS
Authors: STORER JW HOUK KN
Citation: Jw. Storer et Kn. Houk, ORIGIN OF ANOMALOUS KINETIC-PARAMETERS IN CARBENE 1,2-SHIFTS BY DIRECT DYNAMICS, Journal of the American Chemical Society, 115(22), 1993, pp. 10426-10427
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