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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Digital discovery, 2023-10, Vol.2 (5), p.1233-125

2023

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2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene

Acta crystallographica. Section C, Crystal structure communications, 1996-02, Vol.52 (2), p.379-381

1996

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Abuse of Rachel Carson and Misuse of DDT Science in the Service of Environmental Deregulation

Angewandte Chemie International Edition, 2017-08, Vol.56 (34), p.10026-10032

International ed. in English, 2017

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Adhesion between Molecules and Calcium Oxalate Crystals: Critical Interactions in Kidney Stone Formation

Journal of the American Chemical Society, 2003-03, Vol.125 (10), p.2854-2855

2003

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Alignment of Organic Crystals under Nanoscale Confinement

Crystal growth & design, 2012-09, Vol.12 (9), p.4494-4504

2012

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Amplified mass immunosorbent assay with a quartz crystal microbalance

Journal of the American Chemical Society, 1988-12, Vol.110 (26), p.8623-8628

1988

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An analytical bond-order potential for carbon

Journal of computational chemistry, 2015-09, Vol.36 (23), p.1719-1735

2015

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Anion-Templated Assembly of a Supramolecular Cage Complex

Angewandte Chemie (International ed.), 1998-05, Vol.37 (9), p.1279-1281

1998

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Antineoplastic agents. 168. Isolation and structure of axinohydantoin

Canadian journal of chemistry, 1990-09, Vol.68 (9), p.1621-1624

1990

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Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders

Journal of the American Chemical Society, 2007-11, Vol.129 (47), p.14640-14660

2007

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Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation

ACS sustainable chemistry & engineering, 2018-11, Vol.6 (11), p.15100-15107

2018

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Attachment of Calcium Oxalate Monohydrate Crystals on Patterned Surfaces of Proteins and Lipid Bilayers

Journal of the American Chemical Society, 2010-09, Vol.132 (38), p.13188-13190

2010

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Binding modes of high stoichiometry guest complexes with a Co8L12 cage uncovered by mass spectrometry

Chemical communications (Cambridge, England), 2023-10, Vol.59 (79), p.11811-11814

2023

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Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response

Chemical communications (Cambridge, England), 2016-01, Vol.52 (37), p.6225-6228

2016

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Binding of Hydrophobic Guests in a Coordination Cage Cavity is Driven by Liberation of “High‐Energy” Water

Chemistry : a European journal, 2018-02, Vol.24 (7), p.1554-1560

2018

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Bioactive polycrystalline silicon

Advanced materials (Weinheim), 1996-10, Vol.8 (10), p.850-852

1996

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Bis(1,3-diphenylpropane-1,3-dionato-κ2O, O'){hydrotris[3-(2-pyridyl)-pyrazol-1-yl ]borato}praseodymium(III): another member of an unpredictable series

Acta crystallographica. Section C, Crystal structure communications, 2005-05, Vol.61 (Pt 5), p.m221-m223

2005

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Bis(μ-{N-[(methylthio)phenylmethylene]methanamine N-oxide}-O:O)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-O, 4-dionato-O,O')nickel(II)]

Acta crystallographica. Section C, Crystal structure communications, 1998-07, Vol.54 (7), p.929-930

1998

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Bisthienylethenes containing an imidazole bridge unit and their Ir( iii ) complexes: influence of substituent groups on photochromism and luminescence

RSC advances, 2016-01, Vol.6 (74), p.69677-69684

2016

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Bulk Crystals to Surfaces: Combining X-ray Diffraction and Atomic Force Microscopy to Probe the Structure and Formation of Crystal Interfaces

Chemical reviews, 2001-06, Vol.101 (6), p.1697-1726

Ward, Michael D

2001

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Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis

Journal of the American Chemical Society, 2018-02, Vol.140 (8), p.2821-2828

2018

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Catalysis of an Aldol Condensation Using a Coordination Cage

Chemistry an international journal, 2020-03, Vol.2 (1), p.22-32

2020

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Catechol as an efficient anchoring group for attachment of ruthenium–polypyridine photosensitisers to solar cells based on nanocrystalline TiO2 films

New journal of chemistry, 2000, Vol.24 (9), p.651-652

2000

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Characterisation of two different mixed-valence states in a strongly interacting dimolybdenum complex

Chemical communications (Cambridge, England), 1997 (8), p.769-770

1997

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Chemistry and Molecular Electronics: New Molecules as Wires, Switches, and Logic Gates

Journal of chemical education, 2001-03, Vol.78 (3), p.321

Ward, Michael D

2001

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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene

Abuse of Rachel Carson and Misuse of DDT Science in the Service of Environmental Deregulation

Adhesion between Molecules and Calcium Oxalate Crystals: Critical Interactions in Kidney Stone Formation

Alignment of Organic Crystals under Nanoscale Confinement

Amplified mass immunosorbent assay with a quartz crystal microbalance

An analytical bond-order potential for carbon

Anion-Templated Assembly of a Supramolecular Cage Complex

Antineoplastic agents. 168. Isolation and structure of axinohydantoin

Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders

Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation

Attachment of Calcium Oxalate Monohydrate Crystals on Patterned Surfaces of Proteins and Lipid Bilayers

Binding modes of high stoichiometry guest complexes with a Co8L12 cage uncovered by mass spectrometry

Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response

Binding of Hydrophobic Guests in a Coordination Cage Cavity is Driven by Liberation of “High‐Energy” Water

Bioactive polycrystalline silicon

Bis(1,3-diphenylpropane-1,3-dionato-κ2O, O'){hydrotris[3-(2-pyridyl)-pyrazol-1-yl ]borato}praseodymium(III): another member of an unpredictable series

Bis(μ-{N-[(methylthio)phenylmethylene]methanamine N-oxide}-O:O)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-O, 4-dionato-O,O')nickel(II)]

Bisthienylethenes containing an imidazole bridge unit and their Ir( iii ) complexes: influence of substituent groups on photochromism and luminescence

Bulk Crystals to Surfaces: Combining X-ray Diffraction and Atomic Force Microscopy to Probe the Structure and Formation of Crystal Interfaces

Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis

Catalysis of an Aldol Condensation Using a Coordination Cage

Catechol as an efficient anchoring group for attachment of ruthenium–polypyridine photosensitisers to solar cells based on nanocrystalline TiO2 films

Characterisation of two different mixed-valence states in a strongly interacting dimolybdenum complex

Chemistry and Molecular Electronics: New Molecules as Wires, Switches, and Logic Gates

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