Density functional approach to the frontier-electron theory of chemical reactivity (Englisch)
Nationallizenz
- Neue Suche nach: Parr, Robert G.
- Neue Suche nach: Yang, Weitao
- Neue Suche nach: Parr, Robert G.
- Neue Suche nach: Yang, Weitao
In:
Journal of the American Chemical Society
;
106
, 14
;
4049-4050
;
1984
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ISSN:
- Aufsatz (Zeitschrift) / Elektronische Ressource
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Titel:Density functional approach to the frontier-electron theory of chemical reactivity
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Weitere Titelangaben:J. Am. Chem. Soc.
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Beteiligte:Parr, Robert G. ( Autor:in ) / Yang, Weitao ( Autor:in )
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Erschienen in:Journal of the American Chemical Society ; 106, 14 ; 4049-4050
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Verlag:
- Neue Suche nach: American Chemical Society
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Erscheinungsdatum:01.07.1984
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ISSN:
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Coden:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
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Datenquelle:
Inhaltsverzeichnis – Band 106, Ausgabe 14
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- 3885
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Theoretical evaluation of the effect of electron-withdrawing substituents on carbocation stabilities. Delocalization of charge to the carbonyl and cyano groupsDixon, David A. / Eades, Robert A. / Frey, Regina / Gassman, Paul G. / Hendewerk, Monica L. / Paddon-Row, Michael N. / Houk, K. N. et al. | 1984
- 3891
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Reactions of methyliron(1+) and methylcobalt(1+) ions with aliphatic alkanes in the gas phaseJacobson, D. B. / Freiser, Ben S. et al. | 1984
- 3900
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Reactions of methyliron(1+) and methylcobalt(1+) ions with cyclic hydrocarbons in the gas phaseJacobson, D. B. / Freiser, Ben S. et al. | 1984
- 3905
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Organometallic bond dissociation energies: laser pyrolysis of iron pentacarbonyl, chromium hexacarbonyl, molybdenum hexacarbonyl, and tungsten hexacarbonylLewis, Karan E. / Golden, David M. / Smith, Gregory P. et al. | 1984
- 3913
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Stabilities and hydrogen bonding in complexes of oxonium ion (H3O+) and methoxonium ion (CH3OH2+) with crown ethers, from measurements of gas-phase ion-molecule equilibriaSharma, Ram B. / Kebarle, Paul et al. | 1984
- 3917
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Photoelectron spectroscopy of 1-propyl, 1-butyl, isobutyl, neopentyl, and 2-butyl radicals: free radical precursors to high-energy carbonium ion isomersSchultz, Jocelyn C. / Houle, F. A. / Beauchamp, J. L. et al. | 1984
- 3927
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Excited states of polyene radical cations: limitations of Koopmans' theoremBally, Thomas / Nitsche, Stephan / Roth, Kuno / Haselbach, Edwin et al. | 1984
- 3934
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Ab initio valence bond calculations and the spin-paired diradical character of sulfur nitride dimer (S2N2)Skrezenek, Frances L. / Harcourt, Richard D. et al. | 1984
- 3937
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Picosecond flash photolysis of carbonyl complexes of ruthenium(II) porphyrin .pi. cation radicalsBarley, Mark / Dolphin, David / James, Brian R. / Kirmaier, Christine / Holten, Dewey et al. | 1984
- 3943
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Spectral shifts upon reversible modifications of aldehyde (CHO) peripheral substituents in porphyrin, chlorin, and bacteriochlorin. A phenomenological explanation for the red shift of protonated Schiff baseWard, Brian / Chang, C. K. / Young, Richard et al. | 1984
- 3950
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Spectral properties of protonated Schiff base porphyrins and chlorins. INDO-CI calculations and resonance Raman studiesHanson, Louise Karle / Chang, C. K. / Ward, Brian / Callahan, Patricia M. / Babcock, Gerald T. / Head, John D. et al. | 1984
- 3958
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Kinetic applications of electron paramagnetic resonance spectroscopy. 42. Some reactions of the bis(trifluoromethyl)aminoxyl radicalDoba, T. / Ingold, K. U. et al. | 1984
- 3964
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Arrhenius parameters for rearrangements of the neophyl, 1-indanylmethyl, 2-allylbenzyl, and 2-(2-vinylphenyl)ethyl radicals relative to hydrogen abstraction from tributylstannaneFranz, James A. / Barrows, Russell D. / Camaioni, Donald M. et al. | 1984
- 3968
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Electron transfer from aromatic hydrocarbons and their .pi.-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentialsHowell, J. O. / Goncalves, J. M. / Amatore, C. / Klasinc, L. / Wightman, R. M. / Kochi, J. K. et al. | 1984
- 3977
-
Anomalous addition of tellurium tetrachloride to allylic esters. Short synthesis of trans-(2S,3S)-2,3-epoxybutaneEngman, Lars et al. | 1984
- 3985
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Photochemical cycloaddition of olefins to aromatic compounds. 5. Formation and deactivation of exciplexes from singlet excited benzene or toulene and 1,3-dioxolesLeismann, Hans / Mattay, Jochen / Scharf, Hans Deiter et al. | 1984
- 3992
-
Stereomutation at hexacoordinate silicon by a ligand-dissociation processFarnham, William B. / Whitney, John F. et al. | 1984
- 3995
-
Vinylogous Wolff rearrangement. 4. General reaction of .beta.,.gamma.-unsaturated .alpha.'-diazo ketonesSmith, Amos B. / Toder, Bruce H. / Branca, Stephen J. et al. | 1984
- 4001
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Vinylogous Wolff rearrangement. 5. Mechanistic studiesSmith, Amos B. / Toder, Bruce H. / Richmond, Ruth / Branca, Stephen J. et al. | 1984
- 4010
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Interconversion by hydrogen transfer of unsymmetrically substituted quinhydrones in the solid state. Crystal structure of the 1:2 complex of 2,5-dimethylquinone with hydroquinonePatil, A. O. / Curtin, D. Y. / Paul, I. C. et al. | 1984
- 4015
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Comparative photophysics of platinum(II) and platinum(IV) porphyrinsKim, Dongho / Holten, Dewey / Gouterman, Martin / Buchler, Johann W. et al. | 1984
- 4017
-
Phosphoenol pyruvamides. Amide-phosphate interactions in analogs of phosphoenol pyruvateKluger, Ronald / Chow, Jane Frances / Croke, James J. et al. | 1984
- 4021
-
Conformational analysis of leukotriene B4 in solution based on high-field nuclear magnetic resonance measurementsSugiura, M. / Beierbeck, H. / Belanger, P. C. / Kotovych, G. et al. | 1984
- 4025
-
Structure of syn-vinyl alcohol determined by microwave spectroscopyRodler, Martin / Bauder, A. et al. | 1984
- 4029
-
Infrared spectrum and general valence force field of syn-vinyl alcoholRodler, Martin / Blom, C. E. / Bauder, A. et al. | 1984
- 4035
-
Reaction of cyclic ketene acetal and carbon disulfide through macrozwitterionEndo, Takeshi / Fukuda, Hiroyuki / Hirota, Masahiro et al. | 1984
- 4036
-
Multisite kinetics by quantitative two-dimensional NMRPerrin, Charles L. / Gipe, Robert K. et al. | 1984
- 4038
-
Cyclobutene bridgehead olefin route to the American cockroach sex pheromone, periplanone-BSchreiber, Stuart L. / Santini, Conrad et al. | 1984
- 4039
-
Tunneling in the automerization of cyclobutadieneHuang, Ming Ju / Wolfsberg, Max et al. | 1984
- 4040
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Tunneling dynamics of cyclobutadieneDewar, Michael J. S. / Merz, Kenneth M. / Stewart, James J. P. et al. | 1984
- 4041
-
Photochemistry of dodecacarbonyltetrahydrotetraruthenium in rigid alkane matrixes at low temperature: spectroscopic detection and characterization of coordinatively unsaturated undecacarbonyltetrahydrotetrarutheniumBentsen, James G. / Wrighton, Mark S. et al. | 1984
- 4043
-
Molecular design for hosts in crystalline host-guest complexesHart, Harold / Lin, Lon Tang W. / Ward, Donald L. et al. | 1984
- 4046
-
Synthesis of vicinal and geminal osmium and ruthenium bis(.mu.-acyl) derivatives: vic- and gem-Os3[.mu.-O:CR]2(CO)10 and vic-Ru2[.mu.-O:CMe]2(CO)6Jensen, C. M. / Chen, Y. J. / Kaesz, H. D. et al. | 1984
- 4047
-
Ab initio SCF-MO study of (.alpha.-lithiomethylene)phosphoraneMcDowell, Robert S. / Streitwieser, Andrew et al. | 1984
- 4048
-
Quantitative CIDNP evidence for the SH2 reaction of alkyl radicals with Grignard reagents. Implication to the iron catalyzed Kharasch reactionLehr, Gary F. / Lawler, Ronald G. et al. | 1984
- 4049
-
Density functional approach to the frontier-electron theory of chemical reactivityParr, Robert G. / Yang, Weitao et al. | 1984
- 4050
-
Trigonal-bipyramidal methyl group bridging two zirconocene-ketene centersWaymouth, Robert M. / Santarsiero, Bernard D. / Grubbs, Robert H. et al. | 1984
- 4051
-
Relative gas-phase acidities of the alkanesDePuy, Charles H. / Bierbaum, Veronica M. / Damrauer, Robert et al. | 1984
- 4053
-
Unimolecular decompositions of gas-phase alkoxide anionsTumas, William / Foster, Robert F. / Brauman, John I. et al. | 1984
- 4054
-
Hydrogen abstractions by triplet methylene and silyleneGordon, Mark S. et al. | 1984
- 4055
-
Electron-transfer quenching and outer-sphere charge-transfer transitions in mixed-metal ion pairs. The [Eu.cntnd.2.2.1]3+-M(CN)nz- systemsSabbatini, N. / Bonazzi, A. / Ciano, M. / Balzani, V. et al. | 1984
- 4056
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Imidazole-trimethyl phosphate system: characterization of the hydrogen bonding by fast-atom-bombardment mass spectrometry and x-ray crystallographyClark, James H. / Green, Michael / Madden, Raymond / Reynolds, Colin D. / Dauter, Zbigniew / Miller, Jack M. / Jones, Timothy et al. | 1984
- 4057
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Copper-dioxygen chemistry. Synthesis, spectroscopy, and properties of a copper(II) superoxide complexThompson, Jeffery S. et al. | 1984
- 4059
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Proton-transfer kinetics in solids: tautomerism in free base porphines by nitrogen-15 CPMAS NMRLimbach, H. H. / Hennig, J. / Kendrick, R. / Yannoni, C. S. et al. | 1984
- 4060
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Perfluorocyclopentadienyl anion, C5F5-Paprott, Gerhard / Seppelt, Konrad et al. | 1984
- 4061
-
Ab initio CI study of the hydrogen abstraction by imidogen (NH(a1.DELTA.))Fueno, Takayuki / Kajimoto, Okitsugu / Bonacic-Koutecky, Vlasta et al. | 1984
- 4062
-
Selective enhancement of tyrosine and tryptophan resonance Raman spectra via ultraviolet laser excitationRava, Richard P. / Spiro, Thomas G. et al. | 1984
- 4064
-
.pi.-Accepting abilities of phosphines in transition-metal complexesMarynick, Dennis S. et al. | 1984
- 4065
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Bond energy-bond order relations in transition-metal bonds: vanadiumAristov, N. / Armentrout, P. B. et al. | 1984
- 4066
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Nineteen-electron species as intermediates in the photochemical disproportionation of bis(.eta.5-methylcyclopentadienyl)dimolybdenum hexacarbonyl (.eta.5-CH3C5H4)2Mo2(CO)6)Goldman, Alan S. / Tyler, David R. et al. | 1984
- 4067
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Multiple metal-carbon bonds. 34. Metathesis of acetylenes by molybdenum(VI) alkylidyne complexesMcCullough, Laughlin G. / Schrock, Richard R. et al. | 1984
- 4069
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Additions and Corrections - Reactions of Alkanediazotic Acids at Near Neutral and Basic pH in [18O]H2OGold, Barry / Deshpande, Ashok / Linder, Wendy / Hines, Lance et al. | 1984
- 4069
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Additions and Corrections - Chiral Synthesis via Organoboranes. 1. A Simple Procedure To Acheive Products of Essentially 100% Optical Purity in Hydroboration of Alkenes with Monoisopinocampheylborane. Synthesis of Boronic Esters and Derived Products of Very High Enantiomeric PuritiesBrown, Herbert / Singaram, Bakthan et al. | 1984
- 4069
-
Book Reviews| 1984
-
Masthead| 1984