A theoretical study of the cyclopropane ring opening by palladium (original) (raw)
Catalysis of the ring-opening and isomerization of cyclopropane by complexation with metal radical cations: an ab initio study
Alexander istia Alex
Journal of the American Chemical Society, 1992
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Bonding Properties of Cyclopropane and Their Chemical Consequences
Armin D Meijere
Angewandte Chemie International Edition in English, 1979
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Radical Ring Expansion Reactions of Methylenecyclopropane Derivatives: A Theoretical Study
Diego Ardura
The Journal of Organic Chemistry, 2006
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Dicationic Ring-Opening Reactions of trans-2-Phenylcyclopropylamine·HCl: Electrophilic Cleavage of the Distal (C2–C3) Bond of Cyclopropanes
Rajasekhar Naredla
The Journal of Organic Chemistry, 2013
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The ring opening of cyclopropylidene to allene: key features of the accurate reaction surface
Stephen Elbert
Theoretica Chimica Acta, 1991
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Photochemical transformation of small ring compounds. 114. Photochemistry of cyclopropene derivatives. 17. Competition between side-chain fragmentation and ring opening
Albert Padwa
Journal of the American Chemical Society, 1980
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Ab Initio Molecular Orbital Calculations of Electronic Effects on the Kinetics of Cyclopropylcarbinyl Radical Ring Openings
Graham Fleming
The Journal of Organic Chemistry, 1998
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Transition Metal Chemistry of Cyclopropenes and Cyclopropanes
Michael Rubin
ChemInform, 2007
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Excited-state chemistry of cyclopropene derivatives
Albert Padwa
Accounts of Chemical Research, 1979
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2s + 2s Reactions at transition metals. Part 3. Dichlorotitanacyclopropane. The structure and reactivity of a metallacyclopropane
William Goddard
Journal of the American Chemical Society, 1985
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Ring opening of monocyclic dimethyl cyclopropene via metathesis by tungsten catalyst– A computational study
Jay Meena
Journal of Chemical Sciences, 2014
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Radical cations and triplet states of 1,2-disubstituted cyclopropanes: comparison of potential surfaces
Heinz Roth
Photochemical & Photobiological Sciences, 2012
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Hydrogen pressure-dependence in the ring-opening reactions of substituted cyclopropanes over Rh/SiO2 catalyst
Bela Torok
Catalysis Letters, 1990
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Opening of a cyclopropyl ring in (diphenylcyclopropyl)alkenes promoted by electron transfer from potassium 4,4'-di-tert-butylbiphenyl radical anion and x-ray and theoretical calculations of the structure of (Z)-1,2-bis(trans-2,trans-3-diphenylcyclopropyl)ethene
Rafik Karaman
The Journal of Organic Chemistry, 1993
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A semiempirical quantum mechanical approach towards understanding of cyclopropenone reactivity
Andrea Melissa Cabrera
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Phenylcyclopropane Energetics and Characterization of Its Conjugate Base: Phenyl Substituent Effects and the C-H Bond Dissociation Energy of Cyclopropane
Steven Kass
The Journal of organic chemistry, 2016
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Isopropylcyclopropane + OH Gas Phase Reaction: A Quantum Chemistry + CVT/SCT Approach
J. Alvarez-idaboy
The Journal of Physical Chemistry A, 2006
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Transition Structures of the Ene Reactions of Cyclopropene
Bert Thomas
Journal of the American Chemical Society, 1997
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Theoretical determination of molecular structure and conformation. 20. Reevaluation of the strain energies of cyclopropane and cyclobutane carbon-carbon and carbon-hydrogen bond energies, 1,3 interactions, and .sigma.-aromaticity
Dieter Cremer
Journal of The American Chemical Society, 1986
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Ring opening of some 1,1,2-trihalocyclopropanes with a polar substituent attached to C-2; evidence for regioselective attack directed by hydrogen bonding
Ole Heine Kvernenes
Arkivoc, 2008
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Mechanistic study on the palladium-catalyzed (3 + 2) intramolecular cycloaddition of alk-5-enylidenecyclopropanes
José Mascareñas
Dalton Transactions, 2012
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The description of chemical reactions by the method of the Full Optimized Reaction Space. The ring-opening of unsubstituted and substituted cyclopropylidene to allene
Petros Valtazanos
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Ring-opening reactions of cyclopropanes. Part 8.1 Nitrosation of donor-acceptor cyclopropanes
Flavio Cermola
Journal of Chemical …, 2005
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Non-alkane behavior of cyclopropane and its derivatives: characterization of unconventional hydrogen bond interactions
J. Alvarez-idaboy
Theoretical Chemistry Accounts, 2007
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A high level ab initio study of corner-protonated cyclopropane
Eamonn Healy
Journal of the Chemical Society, Chemical Communications, 1987
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Theoretical investigation of the photochemical reaction mechanism of cyclopropenone decarbonylation
Saadullah Aziz
Molecular Physics, 2011
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Ring-Opening Reactions of Methylcyclopentane over Metal Catalysts, M = Pt, Rh, Ir, and Pd: A Mechanistic Study from First-Principles Calculations
Lyudmila Moskaleva
ACS Catalysis, 2013
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Activity, selectivity, and stereochemical features in the copper-catalyzed hydrogenative ring-opening of alkyl-substituted cyclopropanes-nature of active sites
Árpád Molnár
Journal of Catalysis, 1990
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Potential surface for the methylenecyclopropane rearrangement
David Feller
Journal of the American Chemical Society, 1982
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Reactivity–selectivity principle in substituted cyclobutene ring opening computed with density functional theory methods
Branko Jursic
Journal of Molecular Structure: THEOCHEM, 1998
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Cyclopropabenzene. Geometry, electronic structure, strain, reactivity, and the question of bond fixation. A theoretical study
Yitzhak Apeloig
Journal of the American Chemical Society, 1986
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Reaction of chemically generated carbon-14 atoms with cyclopropane
seetha kammula
Journal of The American Chemical Society, 1974
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Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction
Thomas W Hey
Dalton Transactions, 2011
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Theoretical study of the cyclopropenyl radical
mahamat nour
Journal of the American Chemical Society, 1984
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Reinvestigation of the metalation of phenylcyclopropane: does the phenylcyclopropyl anion undergo ring-opening?
Patrick Riley
The Journal of Organic Chemistry, 1988
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