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Results: 1-25/129
THERMODYNAMIC AND QUANTUM-CHEMICAL STUDY OF THE CONVERSION OF CHORISMATE TO (PYRUVATE PLUS 4-HYDROXYBENZOATE)
Authors: TEWARI YB CHEN JG HOLDEN MJ HOUK KN GOLDBERG RN
Citation: Yb. Tewari et al., THERMODYNAMIC AND QUANTUM-CHEMICAL STUDY OF THE CONVERSION OF CHORISMATE TO (PYRUVATE PLUS 4-HYDROXYBENZOATE), JOURNAL OF PHYSICAL CHEMISTRY B, 102(43), 1998, pp. 8634-8639
THEORETICAL-STUDIES OF THE STRUCTURE, AROMATICITY, AND MAGNETIC-PROPERTIES OF O-BENZYNE
Authors: JIAO HJ SCHLEYER PV BENO BR HOUK KN WARMUTH R
Citation: Hj. Jiao et al., THEORETICAL-STUDIES OF THE STRUCTURE, AROMATICITY, AND MAGNETIC-PROPERTIES OF O-BENZYNE, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 36(24), 1998, pp. 2761-2764
PHOTOCHEMISTRY OF KETONES ADSORBED ON SIZE SHAPE SELECTIVE ZEOLITES -A SUPRAMOLECULAR APPROACH TO PERSISTENT CARBON-CENTERED RADICALS/
Authors: TURRO NJ MCDERMOTT A LEI XG ABRAMS L OTTAVIANI MF BEARD HS HOUK KN BENO BR LEE PS
Citation: Nj. Turro et al., PHOTOCHEMISTRY OF KETONES ADSORBED ON SIZE SHAPE SELECTIVE ZEOLITES -A SUPRAMOLECULAR APPROACH TO PERSISTENT CARBON-CENTERED RADICALS/, Chemical communications, (6), 1998, pp. 697-698
CYCLOADDITION OF O-BENZYNE TO BENZENE AND THE INNER PHASE OF A HEMICARCERAND
Authors: BENO BR SHEU CM HOUK KN WARMUTH R CRAM DJ
Citation: Br. Beno et al., CYCLOADDITION OF O-BENZYNE TO BENZENE AND THE INNER PHASE OF A HEMICARCERAND, Chemical communications, (3), 1998, pp. 301-302
INFLUENCE OF BYSTANDER SUBSTITUENTS ON THE RATES OF 1,2-H AND 1,2-PH SHIFTS IN SINGLET AND TRIPLET CARBENES
Authors: KEATING AE GARCIAGARIBAY MA HOUK KN
Citation: Ae. Keating et al., INFLUENCE OF BYSTANDER SUBSTITUENTS ON THE RATES OF 1,2-H AND 1,2-PH SHIFTS IN SINGLET AND TRIPLET CARBENES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(44), 1998, pp. 8467-8476
BOND ALTERNATION AND AROMATIC CHARACTER IN CYCLIC POLYENES - ASSESSMENT OF THEORETICAL METHODS FOR COMPUTING THE STRUCTURES AND ENERGIES OFBISMETHANO[14]ANNULENES
Authors: NENDEL M HOUK KN TOLBERT LM VOGEL E JIAO HJ SCHLEYER PV
Citation: M. Nendel et al., BOND ALTERNATION AND AROMATIC CHARACTER IN CYCLIC POLYENES - ASSESSMENT OF THEORETICAL METHODS FOR COMPUTING THE STRUCTURES AND ENERGIES OFBISMETHANO[14]ANNULENES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(36), 1998, pp. 7191-7198
MECHANISMS OF PEROXYNITRITE OXIDATIONS AND REARRANGEMENTS - THE THEORETICAL PERSPECTIVE
Authors: BARTBERGER MD OLSON LP HOUK KN
Citation: Md. Bartberger et al., MECHANISMS OF PEROXYNITRITE OXIDATIONS AND REARRANGEMENTS - THE THEORETICAL PERSPECTIVE, Chemical research in toxicology, 11(7), 1998, pp. 710-711
THEORETICAL-STUDY OF THE FACIAL SELECTIVITY IN DIELS-ALDER REACTIONS OF 4,4-DISUBSTITUTED CYCLOHEXADIENONES
Authors: SILVERO G LUCERO MJ WINTERFELDT E HOUK KN
Citation: G. Silvero et al., THEORETICAL-STUDY OF THE FACIAL SELECTIVITY IN DIELS-ALDER REACTIONS OF 4,4-DISUBSTITUTED CYCLOHEXADIENONES, Tetrahedron, 54(26), 1998, pp. 7293-7300
STEREOSELECTIVE SYNTHESIS OF THE TETRACYCLIC CORE OF MANZAMINE VIA THE VINYLOGOUS AMIDE PHOTOCYCLOADDITION CASCADE
Authors: WINKLER JD AXTEN J HAMMACH AH KWAK YS LENGWEILER U LUCERO MJ HOUK KN
Citation: Jd. Winkler et al., STEREOSELECTIVE SYNTHESIS OF THE TETRACYCLIC CORE OF MANZAMINE VIA THE VINYLOGOUS AMIDE PHOTOCYCLOADDITION CASCADE, Tetrahedron, 54(25), 1998, pp. 7045-7056
AN ANTIBODY EXO DIELS-ALDERASE INHIBITOR COMPLEX AT 1.95 ANGSTROM RESOLUTION
Authors: HEINE A STURA EA YLIKAUHALUOMA JT GAO CS DENG QL BENO BR HOUK KN JANDA KD WILSON IA
Citation: A. Heine et al., AN ANTIBODY EXO DIELS-ALDERASE INHIBITOR COMPLEX AT 1.95 ANGSTROM RESOLUTION, Science, 279(5358), 1998, pp. 1934-1940
EXPERIMENTAL AND COMPUTATIONAL STUDIES OF NUCLEOPHILIC ADDITIONS OF METAL-HYDRIDES AND ORGANOMETALLICS TO HINDERED CYCLOHEXANONES
Authors: ANDO K HOUK KN BUSCH J MENASSE A SEQUIN U
Citation: K. Ando et al., EXPERIMENTAL AND COMPUTATIONAL STUDIES OF NUCLEOPHILIC ADDITIONS OF METAL-HYDRIDES AND ORGANOMETALLICS TO HINDERED CYCLOHEXANONES, Journal of organic chemistry, 63(6), 1998, pp. 1761-1766
A THEORETICAL INVESTIGATION OF PHOSPHONAMIDATES AND SULFONAMIDES AS PROTEASE TRANSITION-STATE ISOSTERES
Authors: RADKIEWICZ JL MCALLISTER MA GOLDSTEIN E HOUK KN
Citation: Jl. Radkiewicz et al., A THEORETICAL INVESTIGATION OF PHOSPHONAMIDATES AND SULFONAMIDES AS PROTEASE TRANSITION-STATE ISOSTERES, Journal of organic chemistry, 63(5), 1998, pp. 1419-1428
THEORETICAL PREDICTION AND EXPERIMENTAL TESTS OF CONFORMATIONAL SWITCHES IN TRANSITION-STATES OF DIELS-ALDER AND 1,3-DIPOLAR CYCLOADDITIONSTO ENOL ETHERS
Authors: LIU J NIWAYAMA S YOU Y HOUK KN
Citation: J. Liu et al., THEORETICAL PREDICTION AND EXPERIMENTAL TESTS OF CONFORMATIONAL SWITCHES IN TRANSITION-STATES OF DIELS-ALDER AND 1,3-DIPOLAR CYCLOADDITIONSTO ENOL ETHERS, Journal of organic chemistry, 63(4), 1998, pp. 1064-1073
DIOXIRANE EPOXIDATIONS OF 1,1-DISUBSTITUTED ETHYLENES - PROBING FOR RADICAL PATHWAYS BY COMPUTATIONS AND EXPERIMENTS
Authors: LIU J HOUK KN DINOI A FUSCO C CURCI R
Citation: J. Liu et al., DIOXIRANE EPOXIDATIONS OF 1,1-DISUBSTITUTED ETHYLENES - PROBING FOR RADICAL PATHWAYS BY COMPUTATIONS AND EXPERIMENTS, Journal of organic chemistry, 63(23), 1998, pp. 8565-8569
TORSIONAL CONTROL OF EPOXIDATION STEREOSELECTIVITY IN 1,2-DIHYDRONAPHTHALENES - TRANSITION-STATE MODELING WITH SEMIEMPIRICAL QUANTUM-MECHANICS
Authors: LUCERO MJ HOUK KN
Citation: Mj. Lucero et Kn. Houk, TORSIONAL CONTROL OF EPOXIDATION STEREOSELECTIVITY IN 1,2-DIHYDRONAPHTHALENES - TRANSITION-STATE MODELING WITH SEMIEMPIRICAL QUANTUM-MECHANICS, Journal of organic chemistry, 63(20), 1998, pp. 6973-6977
TRANSITION-STATES FOR ALKANE OXIDATIONS BY DIOXIRANES
Authors: DU XH HOUK KN
Citation: Xh. Du et Kn. Houk, TRANSITION-STATES FOR ALKANE OXIDATIONS BY DIOXIRANES, Journal of organic chemistry, 63(19), 1998, pp. 6480-6483
ORIGINS OF SELECTIVITY IN MOLECULAR AND SUPRAMOLECULAR ENTITIES - SOLVENT AND ELECTROSTATIC CONTROL OF THE TRANSLATIONAL ISOMERISM IN [2]CATENANES
Authors: RAYMO FM HOUK KN STODDART JF
Citation: Fm. Raymo et al., ORIGINS OF SELECTIVITY IN MOLECULAR AND SUPRAMOLECULAR ENTITIES - SOLVENT AND ELECTROSTATIC CONTROL OF THE TRANSLATIONAL ISOMERISM IN [2]CATENANES, Journal of organic chemistry, 63(19), 1998, pp. 6523-6528
SHORT, STRONG HYDROGEN-BONDS IN THE GAS-PHASE AND IN SOLUTION - THEORETICAL EXPLORATION OF PKA MATCHING AND ENVIRONMENTAL-EFFECTS ON THE STRENGTHS OF HYDROGEN-BONDS AND THEIR POTENTIAL ROLES IN ENZYMATIC CATALYSIS
Authors: CHEN JG MCALLISTER MA LEE JK HOUK KN
Citation: Jg. Chen et al., SHORT, STRONG HYDROGEN-BONDS IN THE GAS-PHASE AND IN SOLUTION - THEORETICAL EXPLORATION OF PKA MATCHING AND ENVIRONMENTAL-EFFECTS ON THE STRENGTHS OF HYDROGEN-BONDS AND THEIR POTENTIAL ROLES IN ENZYMATIC CATALYSIS, Journal of organic chemistry, 63(14), 1998, pp. 4611-4619
STUDIES OF DIASTEREOSELECTIVITY IN CONJUGATE ADDITION OF ORGANOALUMINUM REAGENTS TO (R)-[(P-TOLYLSULFINYL)METHYL] QUINOLS AND DERIVATIVES
Authors: CARRENO MC GONZALEZ MP RIBAGORDA M HOUK KN
Citation: Mc. Carreno et al., STUDIES OF DIASTEREOSELECTIVITY IN CONJUGATE ADDITION OF ORGANOALUMINUM REAGENTS TO (R)-[(P-TOLYLSULFINYL)METHYL] QUINOLS AND DERIVATIVES, Journal of organic chemistry, 63(11), 1998, pp. 3687-3693
STEREOSELECTIVITIES OF NUCLEOPHILIC ADDITIONS TO CYCLOHEPTANONES - EXPERIMENTAL AND THEORETICAL-STUDIES AND GENERAL-PURPOSE FORCE-FIELD FORTHE PREDICTION OF NUCLEOPHILIC-ADDITION STEREOSELECTIVITIES
Authors: ANDO K CONDROSKI KR HOUK KN WU YD LY SK OVERMAN LE
Citation: K. Ando et al., STEREOSELECTIVITIES OF NUCLEOPHILIC ADDITIONS TO CYCLOHEPTANONES - EXPERIMENTAL AND THEORETICAL-STUDIES AND GENERAL-PURPOSE FORCE-FIELD FORTHE PREDICTION OF NUCLEOPHILIC-ADDITION STEREOSELECTIVITIES, Journal of organic chemistry, 63(10), 1998, pp. 3196-3203
[5,5]-SIGMATROPIC REARRANGEMENT - DFT PREDICTION OF A DIRADICAL MECHANISM FOR A WOODWARD-HOFFMANN ALLOWED THERMAL PERICYCLIC REACTION - ENGLISH, ENGLISH
Authors: BENO BR FENNEN J HOUK KN LINDNER HJ HAFNER K
Citation: Br. Beno et al., [5,5]-SIGMATROPIC REARRANGEMENT - DFT PREDICTION OF A DIRADICAL MECHANISM FOR A WOODWARD-HOFFMANN ALLOWED THERMAL PERICYCLIC REACTION - ENGLISH, ENGLISH, Journal of the American Chemical Society, 120(40), 1998, pp. 10490-10493
EFFECT OF GUANINE STACKING ON THE OXIDATION OF 8-OXOGUANINE IN B-DNA
Authors: PRAT F HOUK KN FOOTE CS
Citation: F. Prat et al., EFFECT OF GUANINE STACKING ON THE OXIDATION OF 8-OXOGUANINE IN B-DNA, Journal of the American Chemical Society, 120(4), 1998, pp. 845-846
THE MECHANISM OF THE SLIPPAGE APPROACH TO ROTAXANES - ORIGIN OF THE ALL-OR-NOTHING SUBSTITUENT EFFECT
Authors: RAYMO FM HOUK KN STODDART JF
Citation: Fm. Raymo et al., THE MECHANISM OF THE SLIPPAGE APPROACH TO ROTAXANES - ORIGIN OF THE ALL-OR-NOTHING SUBSTITUENT EFFECT, Journal of the American Chemical Society, 120(36), 1998, pp. 9318-9322
WHY IS THE CONCERTED (2- DENSITY-FUNCTIONAL AND CORRELATED AB-INITIO CALCULATIONS AND A FRONTIER MO ANALYSIS(2) MECHANISM OF THE REACTIONS OF SO3 WITH ALKENES FAVORED OVER THE (3+2) MECHANISM )
Authors: HALLER J BENO BR HOUK KN
Citation: J. Haller et al., WHY IS THE CONCERTED (2- DENSITY-FUNCTIONAL AND CORRELATED AB-INITIO CALCULATIONS AND A FRONTIER MO ANALYSIS(2) MECHANISM OF THE REACTIONS OF SO3 WITH ALKENES FAVORED OVER THE (3+2) MECHANISM ), Journal of the American Chemical Society, 120(26), 1998, pp. 6468-6472
ALKYNES, ALLENES, AND ALKENES IN [3,3]-SIGMATROPY - FUNCTIONAL DIVERSITY AND KINETIC MONOTONY - A THEORETICAL-ANALYSIS
Authors: BLACK KA WILSEY S HOUK KN
Citation: Ka. Black et al., ALKYNES, ALLENES, AND ALKENES IN [3,3]-SIGMATROPY - FUNCTIONAL DIVERSITY AND KINETIC MONOTONY - A THEORETICAL-ANALYSIS, Journal of the American Chemical Society, 120(23), 1998, pp. 5622-5627
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