J. Cole

Jacqueline M Cole, J. Cole, 2003, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.

Takeshi Kawase, Chitoshi Kitamura, Jacqueline M Cole, 2014, Physical chemistry chemical physics : PCCP.

Neutron Diffraction Characterization of C-H ... Li Interactions in a Lithium Aluminate Polymer

D. J. Linton, G. McIntyre, J. Cole, 2014 .

Systematic Molecular Design of p-Phenylene Lasing Properties

T. Merz, J. Cole, P. Waddell, 2013 .

Highly Dipolar, Optically Nonlinear Adducts of Tetracyano-p-quinodimethane: Synthesis, Physical Characterization, and Theoretical Aspects

J. Brédas, M. Malagoli, W. Wenseleers, 1997 .

Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+

G. McIntyre, J. Cole, P. Raithby, 2004 .

Primary amido and phosphido complexes of zinc: potential precursors to heterometallic arrangements

M. Mcpartlin, D. Wright, J. Cole, 2003 .

Anchoring groups for dye-sensitized solar cells.

Jacqueline M. Cole, Lei Zhang, Lei Zhang, 2015, ACS applied materials & interfaces.

Reaction of metallophosphanide anions with MLnX (X = halide) species as a simple route to heterometallic transition metal complexes

A. Woods, J. Cole, S. Teat, 2003 .

Tormat: a program for the automated structural alignment of molecular conformations

W. Motherwell, J. Cole, Z. Weng, 2008 .

Conformational variability of molecules in different crystal environments: a database study.

Jacqueline M Cole, Frank H Allen, F. Allen, 2008, Acta crystallographica. Section B, Structural science.

A Time-Resolved Infrared Vibrational Spectroscopic Study of the Photo-Dynamics of Crystalline Materials

A. Parker, M. Towrie, J. Cole, 2009, Applied spectroscopy.

Removal or storage of environmental pollutants and alternative fuel sources with inorganic adsorbents via host–guest encapsulation

J. Cole, Alisha J. Cramer, 2017 .

Effects of rare-earth co-doping on the local structure of rare-earth phosphate glasses using high and low energy X-ray diffraction.

Richard A. Martin, J. Cole, V. Honkimaki, 2013, Physical chemistry chemical physics : PCCP.

Solid-state photochemistry

J. Cole, M. Irie, 2016 .

Dye Aggregation and Complex Formation Effects in 7-(Diethylamino)-coumarin-3-carboxylic Acid

Teng Zhao, Lei Zhang, J. Cole, 2014 .

Molecular Origins of Dye Aggregation and Complex Formation Effects in Coumarin 343

J. Cole, K. S. Low, Xiaogang Liu, 2013 .

An x-ray diffraction and 31P MAS NMR study of rare-earth phosphate glasses, (R2O3)x(P2O5)1-x, x = 0.175-0.263, R = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er

J. Cole, E. V. Eck, G. Saunders, 2001 .

XANES study of Ti coordination in heat-treated (TiO2)(x)(SiO2)(1-x) xerogels

Jacqueline M. Cole, Gavin Mountjoy, J. Cole, 1999 .

A rare-earth K-edge EXAFS study of rare-earth phosphate glasses,(R2O3)x(P2O5)1-x, x = 0.187-0.239, R = La, Nd, Sm, Eu, Gd,Dy, Er

J. Cole, G. Saunders, R. J. Newport, 2001 .

An extended x-ray absorption fine structure study of rare-earth phosphate glasses near the metaphosphate composition

J. Cole, G. Saunders, D. Pickup, 1999 .

Molecular and Supramolecular Origins of Optical Nonlinearity in N-Methylurea

Chick C. Wilson, J. Cole, P. Waddell, 2013 .

Disorder in pentachloronitrobenzene, C(6)Cl(5)NO(2): a diffuse scattering study.

Chick C. Wilson, J. Cole, S. Teat, 2007, Acta crystallographica. Section B, Structural science.

Influence of hydrogen bonding on the second harmonic generation effect: neutron diffraction study of 4-nitro-4'-methylbenzylidene aniline.

G. McIntyre, J. Howard, J. Cole, 2001, Acta crystallographica. Section B, Structural science.

Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells.

Jacqueline M Cole, N. Yufa, J. Cole, 2012, Acta crystallographica. Section B, Structural science.

Multiple rare-earth ion environments in amorphous (Gd2O3)0.230(P2O5)0.770 revealed by gadolinium K-edge anomalous x-ray scattering

S. Shastri, J. Cole, R. J. Newport, 2018 .

Direct observation of the R ⋯ R separation in rare-earth phosphate glasses

J. Cole, R. J. Newport, 2007 .

The structure of the rare-earth phosphate glass (Sm2O3)0.205(P2O5)0.795 studied by anomalous dispersion neutron diffraction

Richard A. Martin, J. Cole, A. Wright, 2007 .

Crystal structures and magnetic properties of rare-earth ultraphosphates, RP5O14 (R = La, Nd, Sm, Eu, Gd)

J. Howard, J. Cole, M. Lees, 2000 .

Bayesian Particle Instance Segmentation for Electron Microscopy Image Quantification

Jacqueline M. Cole, Batuhan Yildirim, J. Cole, 2021, J. Chem. Inf. Model..

Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance

Paul G. Waddell, Jacqueline M. Cole, Lei Zhang, 2013 .

'In-situ' charge-density studies of photoinduced phenomena: possibilities for the future?

J. Cole, 2004, Acta crystallographica. Section A, Foundations of crystallography.

A database of refractive indices and dielectric constants auto-generated using ChemDataExtractor

J. Cole, Jiuyang Zhao, 2022, Scientific Data.

Predicting Device Parameters for Dye-Sensitized Solar Cells from Electronic Structure Calculations to Reproduce Experiment

D. Cao, J. Cole, Wansong Zhang, 2020 .

Comparative dataset of experimental and computational attributes of UV/vis absorption spectra

Álvaro Vázquez-Mayagoitia, Ganesh Sivaraman, Jacqueline M. Cole, 2019, Scientific Data.

Design‐to‐Device Approach Affords Panchromatic Co‐Sensitized Solar Cells

Song Xue, K. R. Justin Thomas, Jingwen Jia, 2018, Advanced Energy Materials.

Rational Design of Dithienopicenocarbazole-based Dyes and a Prediction of their Energy-Conversion Efficiency Characteristics for Dye-Sensitized Solar Cells

D. Cao, J. Cole, Chunmeng Liu, 2018 .

ChemDataExtractor: A Toolkit for Automated Extraction of Chemical Information from the Scientific Literature

Jacqueline M. Cole, Matthew C. Swain, J. Cole, 2016, J. Chem. Inf. Model..

How the Shape of Chemical Data Can Enable Data-Driven Materials Discovery

Jacqueline M. Cole, J. Cole, 2021 .

A database of battery materials auto-generated using ChemDataExtractor

J. Cole, Shu Huang, 2020, Scientific Data.

A database of battery materials auto-generated using ChemDataExtractor

Jacqueline M. Cole, Shu Huang, J. Cole, 2020, Scientific Data.

A Design-to-Device Pipeline for Data-Driven Materials Discovery.

Jacqueline M Cole, J. Cole, 2020, Accounts of chemical research.

Data-driven materials research enabled by natural language processing and information extraction

E. Olivetti, G. Ceder, O. Kononova, 2020, Applied Physics Reviews.

3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning

Callum Court, Jacqueline M Cole, Apoorv Jain, 2020, J. Chem. Inf. Model..

Magnetic and superconducting phase diagrams and transition temperatures predicted using text mining and machine learning

Callum J Court, J. Cole, 2020, npj Computational Materials.

rication methods , properties and solar energy applications

B. Hoex, P. Coxon, J. Cole, 2014 .

Matrix dependence of blue light emission from a novel NH2‐functionalized dicyanoquinodimethane derivative

S. Clark, Ravi Mosurkal, J. Cole, 2006 .

Molecular Design of UV–vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts

Zhaochao Xu, J. Cole, Xiaogang Liu, 2013 .

Imaging Dye Aggregation in MK-2, N3, N749, and SQ-2 dye···TiO2 Interfaces That Represent Dye-Sensitized Solar Cell Working Electrodes

A. Yanguas-Gil, J. Elam, J. Cole, 2020 .

Magnetism in graphene oxide induced by epoxy groups

H. Su, Xi Zhu, J. Cole, 2015 .

The structure of graphite oxide: investigation of its surface chemical groups.

J. Cole, C. Barnes, D. W. Lee, 2010, The journal of physical chemistry. B.

Quantum confinement-induced tunable exciton states in graphene oxide

H. Su, Dongwook Lee, Jiwon Seo, 2013, Scientific Reports.

Data-driven materials discovery for solar photovoltaics

J. Cole, Leon R. Devereux, 2021 .

Charge-density study of the nonlinear optical precursor DED-TCNQ at 20 K.

G. McIntyre, J. Cole, J. Howard, 2002 .

Exploiting structure/property relationships in organic non-linear optical materials: developing strategies to realize the potential of TCNQ derivatives

J. Cole, S. Kreiling, 2002 .

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

J. Cole, Miao Zhu, 2022, J. Chem. Inf. Model..

Molecular engineering of organic and organometallic second-order nonlinear optical materials

J. Cole, C. M. Ashcroft, 2019, Handbook of Organic Materials for Electronic and Photonic Devices.

Molecular Origins of the Nonlinear Optical Responses of a Series of α-(X-2-Pyridylamino)-o-cresol Chromophores from Concerted X-ray Diffraction, Hyper-Rayleigh Scattering, and Ab Initio Calculations

K. Clays, J. Cole, J. Pérez-Moreno, 2018, The Journal of Physical Chemistry C.

Multiphase structural models and hyperpolarizability calculations explain second-order nonlinear optical properties of stilbazolium ions

O. Kwon, J. Cole, Seung‐Chul Lee, 2020 .

N-(2-Methoxyphenyl)phthalamic acid

J. Cole, P. Waddell, Rupert J. Rutledge, 2013, Acta crystallographica. Section E, Structure reports online.

Temperature insensitive fluorescence intensity in a coumarin monomer-aggregate coupled system.

Zhaochao Xu, J. Cole, Xiaogang Liu, 2014, Chemical communications.

Discovery of S···C≡N Intramolecular Bonding in a Thiophenylcyanoacrylate-Based Dye: Realizing Charge Transfer Pathways and Dye···TiO2 Anchoring Characteristics for Dye-Sensitized Solar Cells.

Yun Gong, Lei Zhang, Philip Pattison, 2017, ACS applied materials & interfaces.

Cosensitization in Dye-Sensitized Solar Cells.

J. Cole, Christopher B. Cooper, Othman K Al Bahri, 2019, Chemical reviews.

The neutron diffraction anomalous dispersion technique and its application to vitreous Sm2O3·4P2O5

J. Cole, A. Wright, H. Fischer, 2007 .

A new form of analytical chemistry: distinguishing the molecular structure of photo-induced states from ground-states.

Jacqueline M Cole, J. Cole, 2011, The Analyst.

Light-induced metastable linkage isomers of ruthenium sulfur dioxide complexes.

Philip Coppens, Jacqueline M Cole, A. Kovalevsky, 2003, Inorganic chemistry.

Enumerating Intramolecular Charge Transfer in Conjugated Organic Compounds

J. Cole, 2020, J. Chem. Inf. Model..

X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20 K: charge-density and hydrogen-bonding analyses.

G. McIntyre, J. Cole, A. Goeta, 2002, Acta crystallographica. Section B, Structural science.

Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations

K. Clays, O. Kwon, J. Cole, 2013 .

Molecular engineering of cyanine dyes to design a panchromatic response in co-sensitized dye-sensitized solar cells

J. Cole, P. Waddell, S. McKechnie, 2016 .

Dye-Anchoring Modes at the Dye···TiO2 Interface of N3- and N749-Sensitized Solar Cells Revealed by Glancing-Angle Pair Distribution Function Analysis

J. Cole, P. Chater, Othman K Al Bahri, 2020 .

Preferred Molecular Orientation of Coumarin 343 on TiO2 Surfaces: Application to Dye-Sensitized Solar Cells.

Jacqueline M Cole, P. Evans, J. Cole, 2015, ACS applied materials & interfaces.

ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science

Jacqueline M Cole, Juraj Mavračić, Callum J Court, 2021, J. Chem. Inf. Model..

Variation in optoelectronic properties of azo dye-sensitized TiO2 semiconductor interfaces with different adsorption anchors: carboxylate, sulfonate, hydroxyl and pyridyl groups.

Lei Zhang, J. Cole, Chencheng Dai, 2014, ACS applied materials & interfaces.

Orientational disorder in 4-chloronitrobenzene.

Chick C. Wilson, J. Cole, L. Thomas, 2008, Acta crystallographica. Section C, Crystal structure communications.

Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis.

M. Payne, J. Cole, Xie Cheng, 2016, Inorganic chemistry.

Highly dipolar, optically non-linear adducts of TCNQ:- Synthesis, physical characterisation and theoretical aspects

J. Brédas, M. Malagoli, Fabienne, 2015 .

Dye Aggregation, Photostructural Reorganization and Multiple Concurrent Dye···TiO2 Binding Modes in Dye-Sensitized Solar Cell Working Electrodes Containing Benzothiadiazole-Based Dye RK-1

Á. Vázquez-Mayagoitia, J. Cole, Jun Zhang, 2020 .

Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.

Yun Gong, Jacqueline M. Cole, J. Cole, 2015, ACS applied materials & interfaces.

Transforming Benzophenoxazine Laser Dyes into Chromophores for Dye‐Sensitized Solar Cells: A Molecular Engineering Approach

J. Cole, P. Waddell, S. McKechnie, 2015 .

Relating the Structure of Geminal Amido Esters to their Molecular Hyperpolarizability

K. Clays, J. Cole, P. Pattison, 2016 .

Multiple α-agostic interactions in a metal–methyl complex: the neutron structure of [Mo(NC6H3Pri2-2,6)2Me2]

G. McIntyre, J. Howard, J. Cole, 1998 .

Inverse Design of Materials That Exhibit the Magnetocaloric Effect by Text-Mining of the Scientific Literature and Generative Deep Learning

Callum J Court, J. Cole, Apoorv Jain, 2021, Chemistry of Materials.

X-Ray Diffraction of Photolytically Induced Molecular Species in Single Crystals

J. Cole, 2008 .

ReactionDataExtractor: A Tool for Automated Extraction of Information from Chemical Reaction Schemes

Jacqueline M. Cole, Damian M. Wilary, J. Cole, 2021, J. Chem. Inf. Model..

Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study

J. Cole, P. Waddell, G. Pepe, 2016 .

Molecular engineering of fluorescein dyes as complementary absorbers in dye co-sensitized solar cells

J. Cole, P. Waddell, G. Pepe, 2016 .

Auto-generated materials database of Curie and Néel temperatures via semi-supervised relationship extraction

Callum J Court, J. Cole, 2018, Scientific Data.

ChemSchematicResolver: A Toolkit to Decode 2D Chemical Diagrams with Labels and R-Groups into Annotated Chemical Named Entities

Edward Beard, Jacqueline M Cole, Edward J. Beard, 2020, J. Chem. Inf. Model..

A structural study of (TiO2)x(SiO2)1–x (x=0.18, 0.30 and 0.41) xerogels prepared using acetylacetone

J. Cole, D. Pickup, R. J. Newport, 1999 .

Concerted mitigation of O···H and C(π)···H interactions prospects sixfold gain in optical nonlinearity of ionic stilbazolium derivatives.

K. Clays, O. Kwon, J. Cole, 2015, ACS applied materials & interfaces.

Tuning Solvatochromism of Azo Dyes with Intramolecular Hydrogen Bonding in Solution and on Titanium Dioxide Nanoparticles

Jacqueline M. Cole, Lei Zhang, J. Cole, 2013 .

Adsorption properties of p-methyl red monomeric-to-pentameric dye aggregates on anatase (101) titania surfaces: first-principles calculations of dye/TiO₂ photoanode interfaces for dye-sensitized solar cells.

Lei Zhang, J. Cole, 2014, ACS applied materials & interfaces.

Clustering a database of optically absorbing organic molecules via a hierarchical fingerprint scheme that categorizes similar functional molecular fragments.

J. Cole, Padraic J Flanagan, 2022, Journal of Chemical Physics.

Anchoring groups for dye-sensitized solar cells.

Lei Zhang, J. Cole, 2015, ACS applied materials & interfaces.

Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.

T. Kawase, P. Stathi, P. Rudolf, 2014, Physical chemistry chemical physics : PCCP.

Coumarin 545: an emission reference dye with a record-low temperature coefficient for ratiometric fluorescence based temperature measurements.

Qinglong Qiao, Zhaochao Xu, J. Cole, 2015, The Analyst.

Solid-state effects of monofluorophenyl substitution in dithiadiazolyl radicals: Impact on S···S and S···N interactions and their classification via Hirshfeld surfaces and fingerprint plots

J. Howard, J. Cole, A. Batsanov, 2012 .

Characterizing Interfacial Structures of Dye-Sensitized Solar Cell Working Electrodes.

J. Cole, U. Mayer, 2022, Langmuir.

Electrolyte/Dye/TiO2 Interfacial Structures of Dye-Sensitized Solar Cells Revealed by In Situ Neutron Reflectometry with Contrast Matching.

Joshaniel F. K. Cooper, T. Zhu, Shaoliang Guan, 2021, Langmuir : the ACS journal of surfaces and colloids.

Modulation of N3 and N719 dye···TiO2 Interfacial Structures in Dye-Sensitized Solar Cells As Influenced by Dye Counter Ions, Dye Deprotonation Levels, and Sensitizing Solvent

P. Evans, J. Cole, S. Holt, 2018 .

Variation in optoelectronic properties of azo dye-sensitized TiO2 semiconductor interfaces with different adsorption anchors: carboxylate, sulfonate, hydroxyl and pyridyl groups.

Lei Zhang, J. Cole, Chencheng Dai, 2014, ACS applied materials & interfaces.