(Q37397966)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19243187%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

title

Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations (English)

1 reference

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22 January 2020

1 reference

1

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22 January 2020

3

Ronald Breslow

1 reference

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22 January 2020

author name string

Michelle Lynn Hall

series ordinal

2

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22 January 2020

Richard Friesner

series ordinal

4

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22 January 2020

language of work or name

English

0 references

publication date

1 March 2009

1 reference

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Journal of the American Chemical Society

22 January 2020

published in

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22 January 2020

volume

131

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22 January 2020

issue

11

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22 January 2020

page(s)

3965-3973

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Torsional steering controls the stereoselectivity of epoxidation in the guanacastepene a synthesis

22 January 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Relative reactivity of peracids versus dioxiranes (DMDO and TFDO) in the epoxidation of alkenes. A combined experimental and theoretical analysis

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Isotope effects and the mechanism of epoxidation of cyclohexenone with tert-butyl hydroperoxide

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Stereoselectivity in the epoxidation of carbohydrate-based oxepines

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Theoretical investigations of substituent effects in dimethyldioxirane epoxidation reactions

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Peroxy acid epoxidation of acyclic allylic alcohols. Competition between s-trans and s-cis peroxy acid conformers

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

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

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

New paradigms for the peroxy acid epoxidation of CC double bonds: the role of the peroxy acid s-trans conformer and of the 1,2-H transfer in the epoxidation of cyclic allylic alcohols

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Planar transition structures in the epoxidation of alkenes. A DFT study on the reaction of peroxyformic acid with norbornene derivatives.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

CH.O Hydrogen Bonding Influences pi-Facial Stereoselective Epoxidations We are grateful to the National Institute of General Medical Sciences, National Institutes of Health (GM-36700) for financial support of this research and the National Computati

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Torsional Control of Epoxidation Stereoselectivity in 1,2-Dihydronaphthalenes. Transition State Modeling with Semiempirical Quantum Mechanics

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Enantioselective epoxidation of terminal olefins by chiral dioxirane.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Toward a Computational Tool Predicting the Stereochemical Outcome of Asymmetric Reactions: Development and Application of a Rapid and Accurate Program Based on Organic Principles

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Density Functionals with Broad Applicability in Chemistry

3 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2766528

Organocatalytic asymmetric epoxidation of olefins by chiral ketones

3 December 2018

1 reference

12 December 2020

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions. 1. Application to Sharpless asymmetric dihydroxylation

1 reference

12 December 2020

Ketone-catalyzed asymmetric epoxidation reactions

1 reference

12 December 2020

Facial selectivity in epoxidation of 2-cyclohexen-1-ol with peroxy acids. A computational DFT study

1 reference

12 December 2020

Epoxidation of acyclic chiral allylic alcohols with peroxy acids: spiro or planar butterfly transition structures? A computational DFT answer

1 reference

12 December 2020

Theoretical study on the selectivity of asymmetric sulfur ylide epoxidation reaction

1 reference

12 December 2020

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

1 reference

12 December 2020

Identifiers

DOI

10.1021/JA806951R

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19243187%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

1 reference

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22 January 2020

PubMed publication ID

19243187

1 reference