(Q39942350)

15 September 2017

Dynamic effects on the periselectivity, rate, isotope effects, and mechanism of cycloadditions of ketenes with cyclopentadiene (English)

1 reference

15 September 2017

1 reference

3

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15 September 2017

Bryson R Ussing

1

1 reference

15 September 2017

Chao Hang

series ordinal

2

1 reference

15 September 2017

language of work or name

English

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publication date

1 June 2006

1 reference

Journal of the American Chemical Society

15 September 2017

1 reference

15 September 2017

128

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15 September 2017

23

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15 September 2017

7594-7607

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Deuterium kinetic isotope effects in gas-phase S(N)2 and E2 reactions: comparison of experiment and theory

15 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Mechanism and origin of enantioselectivity in the Rh2(OAc)(DPTI)3-catalyzed cyclopropenation of alkynes

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Vibrational spectroscopy and dynamics of small anions in ionic liquid solutions

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Isotope effects and the nature of enantioselectivity in the shi epoxidation. The importance of asynchronicity

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Isotope effects, dynamics, and the mechanism of solvolysis of aryldiazonium cations in water

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Experimental and theoretical multiple kinetic isotope effects for an SN2 reaction. An attempt to determine transition-state structure and the ability of theoretical methods to predict experimental kinetic isotope effects

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

A new form of kinetic isotope effect. Dynamic effects on isotopic selectivity and regioselectivity

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Nonstatistical dynamics in deep potential wells: a quasiclassical trajectory study of methyl loss from the acetone radical cation

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Unusual regioselective intramolecular Diels-Alder reaction forming tricyclo[4.3.1.0(3,7)]decane system

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Role of bifurcation in the bond shifting of cyclooctatetraene

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

Ab initio direct dynamics study of cyclopropyl radical ring-opening

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2453781

13C and 2H kinetic isotope effects and the mechanism of bromination of 1-pentene under synthetic conditions

20 August 2018

1 reference

12 December 2020

Isotope effects and the mechanism of allylic hydroxylation of alkenes with selenium dioxide

1 reference

12 December 2020

Trajectory studies of S(N)2 nucleophilic substitution. 8. Central barrier dynamics for gas phase Cl(-) + CH(3)Cl

1 reference

12 December 2020

A SN2 reaction that avoids its deep potential energy minimum

1 reference

12 December 2020

Sequential transition States and the valley-ridge inflection point in the formation of a semibullvalene

1 reference

12 December 2020

Dynamics-driven reaction pathway in an intramolecular rearrangement

1 reference

12 December 2020

Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point

1 reference

12 December 2020

Progressive systematic underestimation of reaction energies by the B3LYP model as the number of C-C bonds increases: why organic chemists should use multiple DFT models for calculations involving polycarbon hydrocarbons

1 reference

12 December 2020

Simulations of Gas-Phase Chemical Reactions: Applications to SN2 Nucleophilic Substitution

1 reference

12 December 2020

Dynamic Behavior of Organic Reactive Intermediates

1 reference

12 December 2020

Transition-State Spectroscopy of Cyclooctatetraene

1 reference

12 December 2020

Identifiers

DOI

10.1021/JA0606024

1 reference

15 September 2017

1 reference

15 September 2017

PubMed publication ID

16756316

1 reference