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1

Intermolecular interactions and energetics in the crystalline π-π stacks and associated model dimer systems of asymmetric halogenated diketopyrrolopyrroles

Calvo-Castro, Jesus, Warzecha, Monika, Oswald, Iain D. H., Kennedy, Alan R., Morris, Graeme, McLean, Andrew J, McHugh, Callum J

Journal:

Crystal Growth & Design

Year:

2016

Language:

english

File:

PDF, 1.54 MB

english, 2016

2

The Effect of Phase Change Material on Recovery of Neuromuscular Function Following Competitive Soccer Match-Play

Brownstein, Callum G., Ansdell, Paul, Škarabot, Jakob, McHugh, Malachy P., Howatson, Glyn, Goodall, Stuart, Thomas, Kevin

Journal:

Frontiers in Physiology

Year:

2019

Language:

english

File:

PDF, 2.40 MB

english, 2019

3

Fluorine Directed Two-Dimensional Cruciform π–π Stacking in Diketopyrrolopyrroles

Calvo-Castro, Jesus, Morris, Graeme, Kennedy, Alan R., McHugh, Callum J.

Journal:

Crystal Growth & Design

Year:

2016

Language:

english

File:

PDF, 1.75 MB

english, 2016

4

Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system

Calvo-Castro, Jesus, McHugh, Callum J.

Journal:

Journal of Materials Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

5

Selective functionalisation of TNT for sensitive detection by SERRSElectronic supplementary information (ESI) available: full experimental details on the synthesis and analysis of the reported compounds. See http://www.rsc.org/suppdata/cc/b1/b110972c/

McHugh, Callum J., Keir, Ruth, Graham, Duncan, Smith, W. Ewen

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 130 KB

english, 2002

6

Internal labeling of oligonucleotide probes by Diels–Alder cycloaddition

Duncan Graham, Antonio Grondin, Callum McHugh, Ljiljana Fruk, W.Ewen Smith

Journal:

Tetrahedron Letters

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

7

Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes

Kennedy, Alan R., Brown, Karen G., Graham, Duncan, Kirkhouse, Jennifer B., Kittner, Madeleine, Major, Claire, McHugh, Callum J., Murdoch, Paul, Smith, W. Ewen

Journal:

New Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 935 KB

english, 2005

8

The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene

Graham, Duncan, Kennedy, Alan R., McHugh, Callum J., Smith, W. Ewen, David, William I. F., Shankland, Kenneth, Shankland, Norman

Journal:

New Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 322 KB

english, 2004

9

The First Controlled Reduction of the High Explosive RDX.

Callum J. McHugh, W. Ewen Smith, Richard Lacey, Duncan Graham

Journal:

Year:

2003

File:

PDF, 77 KB

2003

10

Effects of fluorine substitution on the intermolecular interactions, energetics and packing behaviour of N-benzyl substituted diketopyrrolopyrroles

Calvo-Castro, Jesus, Morris, Graeme, Kennedy, Alan R., McHugh, Callum J.

Journal:

Crystal Growth & Design

Year:

2016

Language:

english

File:

PDF, 2.12 MB

english, 2016

11

Selective Protection of 5-Aminobenzo- triazole for Controlled Reaction at the Primary Amine

Graham, Duncan, McKeown, Denise, J. McHugh, Callum, McCabe, Ailie, Ewen Smith, W.

Journal:

Year:

2002

Language:

english

File:

PDF, 36 KB

english, 2002

12

Impact of Systematic Structural Variation on the Energetics of π–π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles

Calvo-Castro, Jesus, Warzecha, Monika, Kennedy, Alan R., McHugh, Callum J., McLean, Andrew J.

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 3.07 MB

english, 2014

13

The Role of H-Optimisation on the Computed Intermolecular Interactions and Charge Transfer Integrals in Diketopyrrolopyrroles

Calvo-Castro, Jesus, Kennedy, Alan R., McHugh, Callum J.

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 930 KB

english, 2019

14

The Role of H-Optimisation on the Computed Intermolecular Interactions and Charge Transfer Integrals in Diketopyrrolopyrroles

Calvo-Castro, Jesus, Kennedy, Alan R., McHugh, Callum J.

Journal:

Journal of Physical Chemistry A

Year:

2019

File:

PDF, 930 KB

2019

15

The first controlled reduction of the high explosive RDXElectronic supplementary information (ESI) available: full experimental details on the synthesis and analysis of the reported compounds. See http://www.rsc.org/suppdata/cc/b2/b207885f/

McHugh, Callum J., Smith, W. Ewen, Lacey, Richard, Graham, Duncan

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

16

Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles

Calvo-Castro, Jesus, Warzecha, Monika, McLean, Andrew J., McHugh, Callum J.

Journal:

Vibrational Spectroscopy

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015

17

Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles

Calvo-Castro, Jesus, Maczka, Sebastian, Thomson, Connor, Morris, Graeme, Kennedy, Alan R., McHugh, Callum J.

Journal:

Year:

2016

Language:

english

File:

PDF, 2.60 MB

english, 2016

18

Controlled Synthesis of Electron-Deficient Nitro-1H-benzotriazoles.

Callum J. McHugh, Daniel R. Tackley, Duncan Graham

Journal:

Year:

2002

File:

PDF, 29 KB

2002

19

Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency

Warzecha, Monika, Calvo-Castro, Jesus, Kennedy, Alan R., Macpherson, Alisdair N., Shankland, Kenneth, Shankland, Norman, McLean, Andrew J., McHugh, Callum J.

Journal:

Chemical Communications

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

20

A 2-D π-π dimer model system to investigate structure-charge transfer relationships in rubrene

Chung, Sherlyn Jing, McHugh, Callum John, Calvo-Castro, Jesus

Journal:

Journal of Materials Chemistry C

Year:

2019

File:

PDF, 1.21 MB

2019

21

Development of a Neutral Diketopyrrolopyrrole Phosphine Oxide for the Selective Bioimaging of Mitochondria at the Nanomolar Level

Abelha, Thais F., Morris, Graeme, Lima, Sandro M., Andrade, Luis H. C., McLean, Andrew J., Alexander, Cameron, CalvoâCastro, Jesus, McHugh, Callum J.

Journal:

Chemistry - A European Journal

Year:

2020

Language:

english

File:

PDF, 1.25 MB

english, 2020

22

SERRS. In Situ Substrate Formation and Improved Detection Using Microfluidics

Keir, Ruth, Igata, Eishi, Arundell, Martin, Smith, W. Ewen, Graham, Duncan, McHugh, Callum, Cooper, Jonathan M.

Journal:

Analytical Chemistry

Year:

2002

Language:

english

File:

PDF, 215 KB

english, 2002

23

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study

Calvo-Castro, Jesus, McHugh, Callum J., McLean, Andrew J.

Journal:

Dyes and Pigments

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

24

TNT stilbene derivatives as SERRS active species

McHugh, Callum J., Kennedy, Alan R., Smith, W. Ewen, Graham, Duncan

Journal:

The Analyst (Royal Society of Chemistry)

Year:

2007

Language:

english

File:

PDF, 242 KB

english, 2007

25

Electron-deficient benzotriazoles for the selective N-acetylation of nucleosides

Andrew K. Reid, Callum J. McHugh, Graham Richie, Duncan Graham

Journal:

Tetrahedron Letters

Year:

2006

Language:

english

File:

PDF, 94 KB

english, 2006

26

ChemInform Abstract: Selective Functionalization of TNT for Sensitive Detection by SERRS.

Callum J. McHugh, Ruth Keir, Duncan Graham, W. Ewen Smith

Journal:

Year:

2002

File:

PDF, 26 KB

2002

27

Controlled Synthesis of Electron Deficient Nitro-1H-benzotriazoles

Graham, Duncan, J. McHugh, Callum, R. Tackley, Daniel

Journal:

Year:

2002

Language:

english

File:

PDF, 131 KB

english, 2002

28

SERRS dyes : Part 3. Synthesis of reactive benzotriazole azo dyes for surface enhanced resonance Raman scattering

Enright, Alexis, Fruk, Ljiljana, Grondin, Antonio, McHugh, Callum J., Smith, W. Ewen, Graham, Duncan

Journal:

The Analyst (Royal Society of Chemistry)

Year:

2004

Language:

english

File:

PDF, 273 KB

english, 2004

29

Comparison of Unyvero P55 Pneumonia Cartridge, in-house PCR and culture for the identification of respiratory pathogens and antibiotic resistance in bronchoalveolar lavage fluids in the critical care setting

Gadsby, Naomi J., McHugh, Martin P., Forbes, Callum, MacKenzie, Laura, Hamilton, Stephen K. D., Griffith, David M., Templeton, Kate E.

Journal:

European Journal of Clinical Microbiology & Infectious Diseases

Year:

2019

File:

PDF, 268 KB

2019

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