Evidence map›Paper›PMID 24831741›Full record

ArticleThe journal of physical chemistry. A2014

Exciton coupling model for the emergence of second harmonic generation from assemblies of centrosymmetric molecules.

Gregory R Snyder, Azhad U Chowdhury, Garth J Simpson

Abstract read
In one paragraph

Article in The journal of physical chemistry. A, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Gregory R SnyderDepartment of Chemistry, Purdue University , West Lafayette Indiana 47907, United States.
Azhad U Chowdhury
Garth J Simpson

Funding

Nonlinear Optical Imaging for Guiding Protein Structure DeterminationR01GM103401 · NIGMS · PURDUE UNIVERSITY · PI SIMPSON, GARTH JASON · 2012 to 2018
$1.7M
Ultrafast Nonlinear Optical Approaches toward High-Throughput Membrane Protein NaR01GM103910 · NIGMS · PURDUE UNIVERSITY · PI SIMPSON, GARTH JASON · 2013 to 2016
$1.1M
Dmrt1 in gonadal sex maintenanceF32GM106484 · NIGMS · UNIVERSITY OF MINNESOTA · PI LINDEMAN, ROBIN E. · 2013 to 2015
$165k
NIGMS NIH HHS F32 GM106484NIGMS NIH HHS R01 GM103401NIGMS NIH HHS R01GM-103401NIGMS NIH HHS R01 GM103910NIGMS NIH HHS R01GM-106484
6 · The paper itself

Abstract

A simple model is presented for interpreting the presence of substantial second harmonic generation (SHG) activity from assemblies of centrosymmetric molecular building blocks. Using butadiene as a computationally tractable centrosymmetric model system, time-dependent Hartree-Fock calculations of the nonlinear polarizability of butadiene dimer were well-described through exciton coupling arguments based on the electronic structure of the monomer and the relative orientation between the monomers within the dimer. Experimental studies of the centrosymmetric molecule 2,6-di-tert-butylanthraquinone suggest the formation of a combination of SHG-active and SHG-inactive crystal forms. The structure for the centrosymmetric form is known, serving as a negative control for the model, while the presence of an additional SHG-active metastable form is consistent with predictions of the model for alternative molecular packing configurations.

Indexed as

Models, ChemicalAnthraquinonesButadienesComputer SimulationDimerizationQuantum TheoryThermodynamics1,3-butadieneAnthraquinonesButadienes

Identifiers

PMID24831741
PMCPMC4067158

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.