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51

Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

Murray-Rust, Peter, Glusker, Jenny P.

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 891 KB

english, 1984

52

Chemical reaction paths. V. SN1 reaction of tetrahedral molecules

Murray-Rust, Peter, Buergi, Hans B., Dunitz, J. D.

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 270 KB

english, 1975

53

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

Holliday, Gemma L., Murray-Rust, Peter, Rzepa, Henry S.

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 594 KB

english, 2006

54

Conformational variability of corrins. Some methods of analysis

Pett, Virginia B., Liebman, Michael N., Murray-Rust, Peter, Prasad, Kamla, Glusker, Jenny P.

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 2.18 MB

english, 1987

55

Computer retrieval and analysis of molecular geometry. 4. Intermolecular interactions

Murray-Rust, Peter, Motherwell, W. D. Sam

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 433 KB

english, 1979

56

First-Principles Thermochemistry for Gas Phase Species in an Industrial Rutile Chlorinator

Shirley, Raphael, Phadungsukanan, Weerapong, Kraft, Markus, Downing, Jim, Day, Nick E., Murray-Rust, Peter

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.75 MB

english, 2010

57

Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

Adams, Nico, Winter, Jerry, Murray-Rust, Peter, Rzepa, Henry S.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 478 KB

english, 2008

58

SPECTRa: The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories

Downing, Jim, Murray-Rust, Peter, Tonge, Alan P., Morgan, Peter, Rzepa, Henry S., Cotterill, Fiona, Day, Nick, Harvey, Matt J.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 2.50 MB

english, 2008

59

Analysis of the atomic environment of quaternary ammonium groups in crystal structures, using computerized data retrieval and interactive graphics: modeling acetylcholine-receptor interactions

Rosenfield, Richard E., Murray-Rust, Peter

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 473 KB

english, 1982

60

A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies

Wonacott, Alan, Cooke, Robert, Hayes, Fiona R., Hann, Michael M., Jhoti, Harren, McMeekin, Peter, Mistry, Anil, Murray-Rust, Peter, Singh, Onkar M. P., Weir, Malcolm P.

Journal:

Journal of Medicinal Chemistry

Year:

1993

Language:

english

File:

PDF, 2.51 MB

english, 1993

61

Chemical documents: machine understanding and automated information extraction

Townsend, Joe A., Adams, Sam E., Waudby, Christopher A., de Souza, Vanessa K., Goodman, Jonathan M., Murray-Rust, Peter

Journal:

Organic & Biomolecular Chemistry

Year:

2004

Language:

english

File:

PDF, 242 KB

english, 2004

62

Development of chemical markup language (CML) as a system for handling complex chemical content

Murray-Rust, Peter, Rzepa, Henry S., Wright, Michael

Journal:

New Journal of Chemistry

Year:

2001

Language:

english

File:

PDF, 772 KB

english, 2001

63

The World-Wide Web as a chemical information tool

Murray-Rust, Peter, Rzepa, Henry S., Whitaker, Benjamin J.

Journal:

Chemical Society Reviews

Year:

1997

Language:

english

File:

PDF, 2.90 MB

english, 1997

64

Vetispirane sesquiterpene glucosides from flue-cured virginia tobacco: structure, absolute stereochemistry, and synthesis. X-Ray structure of the p-bromobenzenesulphonate of one of the derived aglycones

Anderson, Robert C., Gunn, Donald M., Murray-Rust, Judith, Murray-Rust, Peter, Roberts, James S.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1977

Language:

english

File:

PDF, 283 KB

english, 1977

65

Crystal and molecular structure of 2,4-di-O-methyl ?-D-galactopyranose monohydrate

Dea, Iain C. M., Murray-Rust, Peter, Scott, William E.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1974

Language:

english

File:

PDF, 487 KB

english, 1974

66

A universal approach to web-based chemistry using XML and CML

Murray-Rust, Peter, Rzepa, Henry S., Wright, Michael, Zara, Stephen

Journal:

Chemical Communications

Year:

2000

Language:

english

File:

PDF, 396 KB

english, 2000

67

On the site of protonation of the 2-aminoimidazo[5,1-f][1,2,4]triazine system: X-ray, 13C nuclear magnetic resonance, and CNDO/2 studies

Riley, J. Patrick, Heatley, Frank, Hillier, Ian H., Murray-Rust, Peter, Murray-Rust, Judith

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1979

Language:

english

File:

PDF, 456 KB

english, 1979

68

An X-ray structural and thermodynamic investigation of the blue and red forms of (C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetra-azacyclotetradecane)copper(II) perchlorate

Clay, Robert, Murray-Rust, Judith, Murray-Rust, Peter

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1979

Language:

english

File:

PDF, 624 KB

english, 1979

69

Hyperactive molecules and the World-Wide-Web information system

Casher, Omer, Chandramohan, Gudge K., Hargreaves, Martin J., Leach, Christopher, Murray-Rust, Peter, Rzepa, Henry S., Sayle, Roger, Whitaker, Benjamin J.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1995

Language:

english

File:

PDF, 1.90 MB

english, 1995

70

Ring?chain tautomerism ?frozen-out? by crystal packing forces: 13C n.m.r. spectroscopy and the remarkable crystal structure of the bromohydrin of 7,7-dichlorobicyclo[3.2.0]heptan-6-one

Glen, Robert C., Murray-Rust, Peter, Riddell, Frank G., Newton, Roger F., Kay, Paul B.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1982

Language:

english

File:

PDF, 210 KB

english, 1982

71

[IEEE 2006 Second IEEE International Conference on e-Science and Grid Computing (e-Science'06) - Amsterdam, The Netherlands (2006.12.4-2006.12.4)] 2006 Second IEEE International Conference on e-Science and Grid Computing (e-Science'06) - Information Delivery in Computational Mineral Science: The eMinerals Data Handling System

White, Toby, Dove, Martin, Bruin, Richard, Austen, Kat, Walker, Andrew, Artacho, Emilio, Marmier, Arnaud, Parker, Steve, Murray-Rust, Peter, Walkingshaw, Andrew, Couch, Philip, Tyer, Rik, Todorov, Ili

Year:

2006

Language:

english

File:

PDF, 758 KB

english, 2006

72

Chiral conversion of 6-aminopenicillanic acid into an antibacterial pen-2-em-3-carboxylic acid derivative: absolute structure from X-ray analysis

Beels, Christopher M. D., Abu-Rabie, M. Said, Murray-Rust, Peter, Murray-Rust, Judith

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1979

Language:

english

File:

PDF, 248 KB

english, 1979

73

A conformational study of bicyclo[3.1.0]hexane. Crystal and molecular structure of N?-isopropylidenebicyclo[3.1.0]hexane-6-exo-carbohydrazide

Morris, David G., Murray-Rust, Peter, Murray-Rust, Judith

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1977

Language:

english

File:

PDF, 396 KB

english, 1977

74

X-Ray crystallographic determination of the conformation of bicyclo[3.3.0]octane and bicyclo[3.2.0]heptane derivatives and evidence for an O ? C?O interaction

Brown, Alistair, Glen, Robert, Murray-Rust, Peter, Murray-Rust, Judith, Newton, Roger F.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1979

Language:

english

File:

PDF, 253 KB

english, 1979

75

Kinetics and mechanisms of formation of the di-endo protonated cryptand (2,1,1)H2 2+ including trapping and X-ray structure determination as its diperchlorate salt

Cox, Brian G., Murray-Rust, Judith, Murray-Rust, Peter, van Truong, Nguyen, Schneider, Hermann

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1982

Language:

english

File:

PDF, 256 KB

english, 1982

76

Solvolysis of 2-adamantyl ONN-azoxytoluene-p-sulphonate. A new reaction

Maskill, H., Murray-Rust, Peter, Thompson, John T., Wilson, Alan A.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1980

Language:

english

File:

PDF, 229 KB

english, 1980

77

Corrigenda

Blackburn, Thomas, Schwartz, Jeffrey, Gillespie, Roger J., Murray-Rust, Judith, Murray-Rust, Peter, Porter, Alexander E. A., Ayalon-Chass, Dorit, Ehlinger, Ed, Magnus, Philip, Schultz, Arthur G., Chiu

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1978

Language:

english

File:

PDF, 81 KB

english, 1978

78

Representation and use of chemistry in the global electronic age

Murray-Rust, Peter, Rzepa, Henry S., Tyrrell, Simon. M., Zhang, Yong

Journal:

Organic & Biomolecular Chemistry

Year:

2004

Language:

english

File:

PDF, 1.15 MB

english, 2004

79

On the mechanism of the catalysed and uncatalysed thermolysis of 2,5-dichlorothiophenium bismethoxycarbonylmethylide: X-ray crystal and molecular structure of methyl 5-chloro-2-methoxythieno[3,2-b]furan-3-carboxylate

Gillespie, Roger J., Murray-Rust, Judith, Murray-Rust, Peter, Porter, Alexander E. A.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1979

Language:

english

File:

PDF, 251 KB

english, 1979

80

Rhodium(II)-catalysed addition of dimethyl diazomalonate to thiophen: a simple synthesis of thiophenium bismethoxycarbonylmethylides and crystal and molecular structure of the unsubstituted methylide

Gillespie, Roger J., Murray-Rust, Judith, Murray-Rust, Peter, Porter, Alexander E. A.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1978

Language:

english

File:

PDF, 201 KB

english, 1978

81

Crystallographic studies related to the intramolecular hydride shift in exo-7-hydroxybicyclo[3.3.1]nonan-3-one

Murray-Rust, Judith, Murray-Rust, Peter, Parker, William. C., Tranter, Roy L., Watt, C. Ian F.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1979

Language:

english

File:

PDF, 755 KB

english, 1979

82

Decomposition of a prop-2-ynyl-substituted nitroxide radical: X-ray crystal structure of the product

Craig, Robert L., Murray-Rust, Judith, Murray-Rust, Peter, Roberts, James S.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1973

Language:

english

File:

PDF, 129 KB

english, 1973

83

Preparation and X-ray crystal structure of (4bα,6β,9β,9aα,10α,13α)-4b,5,6,7,8,9,9a,10,11,12,13,14-dodecahydro-4b-phenyl-6,9:10,13-dimethanodicyclohepta[ a , c ]naphthalene

Harris, Alan Richard, Mills, Keith, Martin-Smith, Michael, Murray-Rust, Peter, Murray-Rust, Judith

Journal:

Canadian Journal of Chemistry

Year:

1980

Language:

english

File:

PDF, 207 KB

english, 1980

84

[IEEE 2009 5th IEEE International Conference on e-Science (e-Science) - Oxford, United Kingdom (2009.12.9-2009.12.11)] 2009 Fifth IEEE International Conference on e-Science - CHIC - Converting Hamburgers into Cows

Townsend, Joseph A., Downing, Jim, Murray-Rust, Peter

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

85

Open Data in Science

Murray-Rust, Peter

Journal:

Year:

2008

Language:

english

File:

PDF, 1.11 MB

english, 2008

86

Modelling Water Allocation between a Wetland and Irrigated Agriculture in the Gediz Basin, Turkey

De Voogt, Koos, Kite, Geoff, Droogers, Peter, Murray-Rust, Hammond

Journal:

International Journal of Water Resources Development

Year:

2000

Language:

english

File:

PDF, 240 KB

english, 2000

87

10.1186/1471-2105-6-180

Murray-Rust, Peter, Mitchell, John BO, Rzepa, Henry S

Journal:

BMC Bioinformatics

Year:

2005

Language:

english

File:

PDF, 1.67 MB

english, 2005

88

Model structures and action of interleukin 1 and its antagonist

Oldfield, Thomas J., Murray-Rust, Peter, Hubbard, Roderick E.

Journal:

Protein Engineering Design and Selection

Year:

1993

Language:

english

File:

PDF, 2.20 MB

english, 1993

89

The solution structure of echistatin: evidence for disulphide bond rearrangement in homologous snake toxins

Cooke, Robert M., Carter, Brian G., Murray-Rust, Peter, Hartshorn, Michael J., Herzyk, Pawel, Hubbard, Roderick E.

Journal:

Protein Engineering Design and Selection

Year:

1992

Language:

english

File:

PDF, 1.43 MB

english, 1992

90

Standards-based curation of a decade-old digital repository dataset of molecular information

Harvey, Matthew J, Mason, Nicholas J, McLean, Andrew, Murray-Rust, Peter, Rzepa, Henry S, Stewart, James J P

Journal:

Journal of Cheminformatics

Year:

2015

Language:

english

File:

PDF, 2.53 MB

english, 2015

91

A new publishing paradigm: STM articles as part of the semantic web

Rzepa, Henry S., Murray-Rust, Peter

Journal:

Learned Publishing

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

92

Applying Occam's razor to global agricultural land use change

Engström, Kerstin, Rounsevell, Mark D.A., Murray-Rust, Dave, Hardacre, Catherine, Alexander, Peter, Cui, Xufeng, Palmer, Paul I., Arneth, Almut

Journal:

Environmental Modelling & Software

Year:

2016

Language:

english

File:

PDF, 1.91 MB

english, 2016

93

The structure of bonellin and its derivatives. Unique physiologically active chlorins from the marine echurian Bonellia viridis

Ballantine, James A., Psaila, Alexander F., Pelter, Andrew, Murray-Rust, Peter, Ferrito, Victor, Schembri, Patrick, Jaccarini, Victor

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

1980

Language:

english

File:

PDF, 1.14 MB

english, 1980

94

An expeditious synthesis of 4-alkoxycarbonyl-5-hydroxy-1,2,3-triazoles: the crystal and molecular structure of the 2-thienylammonium salt of 5-hydroxy-4-methoxycarbonyl-1-(2-thienyl)-1,2,3-triazole

Murray-Rust, Peter, McManus, James, Lennon, Sean P., Porter, Alexander E. A., Rechka, Josef A.

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

1984

Language:

english

File:

PDF, 564 KB

english, 1984

95

Some stereocontrolled ring-opening reactions of 6-substituted 2,3-epoxybicyclo[3.2.0]heptanes

Newton, Roger F., Reynolds, Derek P., Kay, Paul B., Wallace, Timothy W., Roberts, Stanley M., Glen, Robert C., Murray-Rust, Peter M.

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

1983

Language:

english

File:

PDF, 1016 KB

english, 1983

96

ChemInform Abstract: CRYSTAL AND MOLECULAR STRUCTURE OF 2,4-DI-O-METHYL-ALPHA-D-GALACTOPYRANOSE MONOHYDRATE

DEA, IAIN C. M., MURRAY-RUST, PETER, SCOTT, WILLIAM E.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 104 KB

1974

97

ChemInform Abstract: CHEMICAL REACTION PATHS PART 5, THE SN1 REACTION OF TETRAHEDRAL MOLECULES

MURRAY-RUST, PETER, BUERGI, HANS-BEAT, DUNITZ, J. D.

Journal:

Chemischer Informationsdienst

Year:

1975

File:

PDF, 89 KB

1975

98

Using Workflows to Explore and Optimise Named Entity Recognition for Chemistry

Kolluru, BalaKrishna, Hawizy, Lezan, Murray-Rust, Peter, Tsujii, Junichi, Ananiadou, Sophia, Hubbard, Tim J.

Journal:

Year:

2011

Language:

english

File:

PDF, 502 KB

english, 2011

99

Assessing uncertainties in global cropland futures using a conditional probabilistic modelling framework

Engström, Kerstin, Olin, Stefan, Rounsevell, Mark D. A., Brogaard, Sara, van Vuuren, Detlef P., Alexander, Peter, Murray-Rust, Dave, Arneth, Almut

Journal:

Earth System Dynamics Discussions

Year:

2016

Language:

english

File:

PDF, 704 KB

english, 2016

100

Open Data in Science

Murray-Rust, Peter

Journal:

Nature Precedings

Year:

2008

Language:

english

File:

PDF, 403 KB

english, 2008