List of works - David J Yaron

A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians

scientific article published on 05 November 2018

A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field Convergence

scientific article published on 20 October 2016

Beware the nanovoids

scientific article published on 01 November 2019

Brownian dynamics simulations of charge mobility on conjugated polymers in solution

scientific article published in June 2013

Computational and experimental characterization of a fluorescent dye for detection of potassium ion concentration

scientific article

Conjugated Polymers with Repeated Sequences of Group 16 Heterocycles Synthesized through Catalyst-Transfer Polycondensation

scientific article published on 19 May 2016

Effects of electron correlation on the nonlinear optical properties of polyacetylene

scientific article published on 01 May 1992

Functional Group Basis Sets

scientific article published on 01 March 2005

In-Situ Platinum Deposition on Nitrogen-Doped Carbon Films as a Source of Catalytic Activity in a Hydrogen Evolution Reaction.

scientific article published on 21 July 2016

Modeling Field-Induced Quenching in Poly(p-phenylene vinylene) Polymers and Oligomers

scientific article published on 06 April 2015

Modeling outer-sphere disorder in the symmetry breaking of PPV.

scientific article published in April 2009

Modeling the effects of torsional disorder on the spectra of poly- and oligo-(p-phenyleneethynylenes)

scientific article published on 01 September 2006

Molecular engineering of torsional potentials in fluorogenic dyes via electronic substituent effects

scientific article

Photostable Helical Polyfurans

scientific article published on 24 May 2019

SPORE series winner. The ChemCollective--virtual labs for introductory chemistry courses

scientific article

Second-order dispersion interactions in π-conjugated polymers

scientific article published on 01 June 2011

Spectral fine tuning of cyanine dyes: electron donor-acceptor substituted analogues of thiazole orange.

scientific article

Substituent effects on the assembly of helical cyanine dye aggregates in the minor groove of a DNA template

scientific article published on 21 December 2010

Using Molecular Similarity to Develop Reliable Models of Chemical Reactions in Complex Environments

scientific article published on 19 November 2009

Using molecular similarity to construct accurate semiempirical electronic structure theories

scientific article published on 01 September 2004

List of works by David J Yaron

A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians

A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field Convergence

Beware the nanovoids

Brownian dynamics simulations of charge mobility on conjugated polymers in solution

Computational and experimental characterization of a fluorescent dye for detection of potassium ion concentration

Conjugated Polymers with Repeated Sequences of Group 16 Heterocycles Synthesized through Catalyst-Transfer Polycondensation

Effects of electron correlation on the nonlinear optical properties of polyacetylene

Functional Group Basis Sets

In-Situ Platinum Deposition on Nitrogen-Doped Carbon Films as a Source of Catalytic Activity in a Hydrogen Evolution Reaction.

Modeling Field-Induced Quenching in Poly(p-phenylene vinylene) Polymers and Oligomers

Modeling outer-sphere disorder in the symmetry breaking of PPV.

Modeling the effects of torsional disorder on the spectra of poly- and oligo-(p-phenyleneethynylenes)

Molecular engineering of torsional potentials in fluorogenic dyes via electronic substituent effects

Photostable Helical Polyfurans

SPORE series winner. The ChemCollective--virtual labs for introductory chemistry courses

Second-order dispersion interactions in π-conjugated polymers

Spectral fine tuning of cyanine dyes: electron donor-acceptor substituted analogues of thiazole orange.

Substituent effects on the assembly of helical cyanine dye aggregates in the minor groove of a DNA template

Using Molecular Similarity to Develop Reliable Models of Chemical Reactions in Complex Environments

Using molecular similarity to construct accurate semiempirical electronic structure theories