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Bifurcations on potential energy surfaces of organic reactions

Bifurcations on potential energy surfaces of organic reactions

http://www.wikidata.org/entity/Q37259380

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Dynamic behavior of rearranging carbocations - implications for terpene biosynthesis Periodic forces trigger knot untying during translocation of knotted proteins.Diels-Alderase-free, bis-pericyclic, [4+2] dimerization in the biosynthesis of (±)-paracaseolide A Cryptic post-transition state bifurcations that reduce the efficiency of lactone-forming Rh-carbenoid C-H insertions.Diels-Alder reactions of allene with benzene and butadiene: concerted, stepwise, and ambimodal transition states.Experimental and computational evidence for gold vinylidenes: generation from terminal alkynes via a bifurcation pathway and facile C-H insertions AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors A Computational Study of the Origin of Stereoinduction in NHC-Catalyzed Annulation Reactions of α,β-Unsaturated Acyl Azoliums.Studies on the Himbert intramolecular arene/allene Diels-Alder cycloaddition. Mechanistic studies and expansion of scope to all-carbon tethers.Facile oxidative rearrangements using hypervalent iodine reagents.Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.How cyclobutanes are assembled in nature--insights from quantum chemistry.Cycloaddition Reactions: Why Is It So Challenging To Move from Six to Ten Electrons?Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry Origins of stereoselectivity in the trans Diels-Alder paradigm Sequential Diels-Alder/[3,3]-sigmatropic rearrangement reactions of β-nitrostyrene with 3-methyl-1,3-pentadiene.sp-sp3 coupling reactions of alkynylsilver cations, RC≡CAg2+ (R = Me and Ph) with allyliodide.Theoretical and experimental analysis of the reaction mechanism of MrTPS2, a triquinane-forming sesquiterpene synthase from chamomile.Collision-induced dissociation mechanisms of [Li(uracil)]+.Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points.SAM-dependent enzyme-catalysed pericyclic reactions in natural product biosynthesis.Organocatalytic Enantioselective Higher-Order Cycloadditions of in situ Generated Amino Isobenzofulvenes.Bifurcated dissociative photoionization mechanism of acetic acid anhydride revealed by imaging photoelectron photoion coincidence spectroscopy.Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition.Gas-phase reactivity of [Ca(formamide)]2+ complex: an example of different dynamical behaviours.Heavy-Atom Tunneling Calculations in Thirteen Organic Reactions: Tunneling Contributions are Substantial, and Bell's Formula Closely Approximates Multidimensional Tunneling at ≥250 K.Activation of the B-F Bond by Diphenylcarbene: A Reversible 1,2-Fluorine Migration between Boron and Carbon.The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study.A kinetic and thermochemical database for organic sulfur and oxygen compounds.Benign catalysis with iron: unique selectivity in catalytic isomerization reactions of olefins.Nonstatistical dynamics on the caldera.Singlet oxygen photo-oxygenation in water/pluronic F-127 hydrogels: increased reaction efficiency coupled with a switch in regioselectivity.The mechanism of enantioselective ketone reduction with Noyori and Noyori-Ikariya bifunctional catalysts.Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path.Multiple reaction pathways operating in the mechanism of vinylogous Mannich-type reaction activated by a water molecule.A catalytic route to dibenzodiazepines involving Buchwald–Hartwig coupling: reaction scope and mechanistic consideration

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Bifurcations on potential energy surfaces of organic reactions

http://www.wikidata.org/entity/Q37259380

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article científic

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article scientifique

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artigo científico

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bilimsel makale

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scientific article published on January 2008

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vedecký článok

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Bifurcations on potential energy surfaces of organic reactions

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Bifurcations on potential energy surfaces of organic reactions

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Angewandte Chemie International Edition

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Bifurcations on potential energy surfaces of organic reactions

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Daniel H Ess

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Kendall N Houk

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Lai Xu

http://www.w3.org/2001/XMLSchema#string

Nihan Celebi-Olçüm

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P2860

A bispericyclic transition structure allows for efficient relief of antiaromaticity enhancing reactivity and endo stereoselectivity in the dimerization of the fleeting cyclopentadienone.

Dynamic effects on the periselectivity, rate, isotope effects, and mechanism of cycloadditions of ketenes with cyclopentadiene.

The reaction of phenyl radical with molecular oxygen: a G2M study of the potential energy surface.

"Concerted" transition state, stepwise mechanism. Dynamics effects in C2-C6 enyne allene cyclizations.

A single transition state serves two mechanisms: an ab initio classical trajectory study of the electron transfer and substitution mechanisms in reactions of ketyl radical anions with alkyl halides.

Experimental and theoretical studies on the thermal decomposition of heterocyclic nitrosimines.

Interplay of orbital symmetry and nonstatistical dynamics in the thermal rearrangements of bicyclo[n.1.0]polyenes.

An unexpected bispericyclic transition structure leading to 4+2 and 2+4 cycloadducts in the endo dimerization of cyclopentadiene.

Role of bifurcation in the bond shifting of cyclooctatetraene.

The iconoclastic dynamics of the 1,2,6-heptatriene rearrangement.

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7592-7601

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scholarly article

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10.1002/ANIE.200800918

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40

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Steven E Wheeler

Nihan Çelebi-Ölçüm

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2008-01-01T00:00:00Z

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23234368

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18767086

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2790825

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