Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions (Q37343146)

19 August 2017

Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions (English)

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19 August 2017

2

K N Houk

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19 August 2017

Steven E Wheeler

1

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19 August 2017

1 January 2009

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19 August 2017

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19 August 2017

107

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19 August 2017

749-760

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19 August 2017

8-12

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Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Pi-pi stacking tackled with density functional theory

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Chemical double-mutant cycles: dissecting non-covalent interactions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Substituent effects in C6F6-C6H5X stacking interactions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimers

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

The effect of multiple substituents on sandwich and T-shaped pi-pi interactions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Interactions with aromatic rings in chemical and biological recognition

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Aromatic interactions in model systems

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Unexpected substituent effects in offset pi-pi stacked interactions in water

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Crystal structure of an antigen-binding fragment bound to single-stranded DNA

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Anti-DNA autoantibodies and systemic lupus erythematosus

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

NMR solution structures of stereoisometric covalent polycyclic aromatic carcinogen-DNA adduct: principles, patterns, and diversity

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Substituent effects in parallel-displaced pi-pi interactions.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Modeling pi-pi interactions with the effective fragment potential method: the benzene dimer and substituents.

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Efficient density-functional theory integrations by locally augmented radial grids.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

How well can new-generation density functional methods describe stacking interactions in biological systems?

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Substituent effects on the edge-to-face aromatic interactions

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar-pi effects.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

Quantitative measurements of edge-to-face aromatic interactions by using chemical double-mutant cycles

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2742475

The nature of .pi.-.pi. interactions

2 September 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

A survey of Hammett substituent constants and resonance and field parameters

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

High performance computational chemistry: An overview of NWChem a distributed parallel application

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

Density Functionals for Noncovalent Interaction Energies of Biological Importance

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

Density Functionals with Broad Applicability in Chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268970802537614

Stereoselective Stobbe condensation of ethyl methyl diphenylmethylenesuccinate with aromatic aldehydes

21 January 2018

1 reference

12 December 2020

Substituent effects on edge-to-face aromatic interactions

1 reference

12 December 2020

Kinetic resolution of 2-oxazolidinones via catalytic, enantioselective N-acylation

1 reference

12 December 2020

π–π Stacking versus Steric Effects in Stereoselectivity Control: Highly Diastereoselective Synthesis ofsyn-1,2-Diarylpropylamines

1 reference

12 December 2020

Avoiding singularity problems associated with meta-GGA (generalized gradient approximation) exchange and correlation functionals containing the kinetic energy density

1 reference

12 December 2020

Do special noncovalent pi-pi stacking interactions really exist?

1 reference

12 December 2020

Nature and physical origin of CH/π interaction: significant difference from conventional hydrogen bonds

1 reference

12 December 2020

10.1080/00268970802537614

Identifiers

DOI

1 reference

19 August 2017

1 reference

19 August 2017

1 reference

PMCID

2742475