(Q30492768)

19 October 2017

Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes (English)

1 reference

19 October 2017

1

Steven E Wheeler

1 reference

19 October 2017

2

K N Houk

1 reference

19 October 2017

1 September 2009

1 reference

Journal of Chemical Theory and Computation

19 October 2017

1 reference

19 October 2017

5

1 reference

19 October 2017

9

1 reference

19 October 2017

2301-2312

1 reference

Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions

19 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Transition states of Plasmodium falciparum and human orotate phosphoribosyltransferases

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Carbohydrate-pi interactions: what are they worth?

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Substituent effects in parallel-displaced pi-pi interactions.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Recent developments in naturally derived antimalarials: cryptolepine analogues

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Substituent effects on aromatic stacking interactions

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

A simple model system for the study of carbohydrate--aromatic interactions

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Substituent effects in C6F6-C6H5X stacking interactions

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

UCSF Chimera--a visualization system for exploratory research and analysis

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Molecular tweezers and clips as synthetic receptors. Molecular recognition and dynamics in receptor-substrate complexes

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Interactions with aromatic rings in chemical and biological recognition

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

On the role of electrostatic interactions in the design of protein-protein interfaces

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

The Cationminus signpi Interaction

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

The antimalarial and cytotoxic drug cryptolepine intercalates into DNA at cytosine-cytosine sites

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Synthesis and evaluation of cryptolepine analogues for their potential as new antimalarial agents.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Phenyl/Pentafluorophenyl Interactions and the Generation of Ordered Mixed Crystals: sym-Triphenethynylbenzene and sym-Tris(perfluorophenethynyl)benzene This work was supported by the US National Science Foundation (CHE-9904275).

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Can lone pairs bind to a pi system? The water...hexafluorobenzene interaction

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Cation-pi interactions in aromatics of biological and medicinal interest: electrostatic potential surfaces as a useful qualitative guide

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

14 July 2018

Supramolecular chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

The effect of perfluorination on the aromaticity of benzene and heterocyclic six-membered rings.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Substituent effects in sandwich configurations of multiply substituted benzene dimers are not solely governed by electrostatic control.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Effects of heteroatoms on aromatic pi-pi interactions: benzene-pyridine and pyridine dimer

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Expanding the fluorous arsenal: tetrafluorinated phenylalanines for protein design

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Molecular clips with extended aromatic sidewalls as receptors for electron-acceptor molecules. Synthesis and NMR, photophysical, and electrochemical properties

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Binding of genistein to the estrogen receptor based on an experimental electron density study.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

1,4,5,8,9,12-Hexamethyltriphenylene. A molecule with a flipping twist.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Relation between the substituent effect and aromaticity

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

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

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Computational studies on biphenyl derivatives. Analysis of the conformational mobility, molecular electrostatic potential, and dipole moment of chlorinated biphenyl: searching for the rationalization of the selective toxicity of polychlorinated biph

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Interaction of anions with perfluoro aromatic compounds.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Anion-aromatic bonding: a case for anion recognition by pi-acidic rings

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2806064

Electrostatic factors in DNA intercalation

26 November 2018

1 reference

12 December 2020

Electronic Perturbations of the Aromatic Nucleus: Hammett Constants and Electrostatic Potential Topography

1 reference

12 December 2020

Noncovalent Interactions: A Challenge for Experiment and Theory

1 reference

12 December 2020

Anion–π Interactions: Do They Exist?

1 reference

12 December 2020

Sigma- and pi-electron delocalization: focus on substituent effects

1 reference

12 December 2020

Experimental and theoretical electron density study of estrone

1 reference

12 December 2020

An efficient computational approach for the evaluation of substituent constants

1 reference

12 December 2020

Rigid oligonaphthalenediimide rods as transmembrane anion-pi slides

1 reference

12 December 2020

Arene-cation interactions of positive quadrupole moment aromatics and arene-anion interactions of negative quadrupole moment aromatics

1 reference

12 December 2020

Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes

1 reference

12 December 2020

Electrostatic potential minimum of the aromatic ring as a measure of substituent constant

1 reference

12 December 2020

Do special noncovalent pi-pi stacking interactions really exist?

1 reference

12 December 2020

Modeling the Supramolecular Properties of Aliphatic-Aromatic Hydrocarbons with Convex-Concave Topology

1 reference

12 December 2020

The matching of electrostatic extrema: a useful method in drug design? A study of phosphodiesterase III inhibitors

1 reference

12 December 2020

Molecular electronic properties of a series of 4-quinolinecarbinolamines define antimalarial activity profile

1 reference

12 December 2020

The DNA intercalating alkaloid cryptolepine interferes with topoisomerase II and inhibits primarily DNA synthesis in B16 melanoma cells

1 reference

12 December 2020

Identifiers

DOI

10.1021/CT900344G

1 reference

19 October 2017

1 reference

PMC publication ID

2806064

19 October 2017

PubMed publication ID

20161573

1 reference

PMC publication ID

2806064