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51

Dehydropeptides related to ?-lactam antibiotics: a scheme for the biosynthesis of Penicillins and Cephalosporins

Baldwin, Jack E., Haber, Stephen B., Kitchin, John

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1973

Language:

english

File:

PDF, 185 KB

english, 1973

52

The Hradetzky Organ at St Andrews

Journal:

The Musical Times

Year:

1979

Language:

english

File:

PDF, 394 KB

english, 1979

53

Towards Benchmarking in Catalysis Science:Best Practices, Opportunities, and Challenges

Bligaard, Thomas, Bullock, R. Morris, Campbell, Charles T, Chen, Jingguang G, Gates, Bruce C, Gorte, Raymond J., Jones, Christopher W, Jones, William D., Kitchin, John R., Scott, Susannah L

Journal:

Year:

2016

Language:

english

File:

PDF, 1013 KB

english, 2016

54

The design and synthesis of novel hydroxyproline inhibitors of HIV-1 proteinase

Duncan S. Holmes, Richard C. Bethell, Michael M. Hann, John Kitchin, Ian D. Starkey, Richard Storer

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1993

Language:

english

File:

PDF, 2.64 MB

english, 1993

55

Spectroscopic Characterization of Mixed Fe–Ni Oxide Electrocatalysts for the Oxygen Evolution Reaction in Alkaline Electrolytes

Landon, James, Demeter, Ethan, İnoğlu, Nilay, Keturakis, Chris, Wachs, Israel E., Vasić, Relja, Frenkel, Anatoly I., Kitchin, John R.

Journal:

Year:

2012

Language:

english

File:

PDF, 3.45 MB

english, 2012

56

From Field and Study

T. S. Palmer, Ernest C. Mailliard, E. A. Kitchin, John G. Tyler, Harold C. Bryant, D. I. Shepardson, George W. Schussler and Milton S. Ray

Journal:

Year:

1917

Language:

english

File:

PDF, 265 KB

english, 1917

57

Orally Active Non-Peptide Fibrinogen Receptor (GpIIb/IIIa) Antagonists: Identification of 4-[4-[4-(Aminoimino methyl)phenyl]-1-piperazinyl]-1- piperidineacetic Acid as a Long-Acting, Broad-Spectrum Antithrombotic Agent

Eldred, Colin D., Evans, Brian, Hindley, Sean, Judkins, Brian D., Kelly, Henry A., Kitchin, John, Lumley, Philip, Porter, Barry, Ross, Barry C.

Journal:

Journal of Medicinal Chemistry

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

58

Hydrogen Dissociation and Spillover on Individual Isolated Palladium Atoms

Tierney, Heather L., Baber, Ashleigh E., Kitchin, John R., Sykes, E. Charles H.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 795 KB

english, 2009

59

Preparation and Characterization of a Bis-Semiquinone: a Bidentate Dianion Biradical

Shultz, David A., Boal, Andrew K., Driscoll, Debra J., Kitchin, John R., Tew, Gregory N.

Journal:

Journal of Organic Chemistry

Year:

1995

Language:

english

File:

PDF, 245 KB

english, 1995

60

Generalization of Block-Savits' Convolution Result

John Kitchin and Frank Proschan

Journal:

The Annals of Statistics

Year:

1981

Language:

english

File:

PDF, 185 KB

english, 1981

61

Modeling Segregation on AuPd(111) Surfaces with Density Functional Theory and Monte Carlo Simulations

Boes, Jacob R., Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.61 MB

english, 2017

62

Electrochemical Concentration of Carbon Dioxide from an Oxygen/Carbon Dioxide Containing Gas Stream

Landon, James, Kitchin, John R.

Journal:

Journal of The Electrochemical Society

Year:

2010

Language:

english

File:

PDF, 460 KB

english, 2010

63

Sulphur poisoning of water-gas shift catalysts: site blocking and electronic structure modification

İnoğlu, Nilay, Kitchin, John R.

Journal:

Molecular Simulation

Year:

2009

Language:

english

File:

PDF, 436 KB

english, 2009

64

Alkaline Electrolyte and Fe Impurity Effects on the Performance and Active-Phase Structure of NiOOH Thin Films for OER Catalysis Applications

Michael, John D., Demeter, Ethan L., Illes, Steven M., Fan, Qingqi, Boes, Jacob R., Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.24 MB

english, 2015

65

Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

Calle-Vallejo, Federico, Inoglu, Nilay G., Su, Hai-Yan, Martínez, José I., Man, Isabela C., Koper, Marc T. M., Kitchin, John R., Rossmeisl, Jan

Journal:

Chemical Science

Year:

2013

Language:

english

File:

PDF, 758 KB

english, 2013

66

A Linear Response DFT+ U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides

Xu, Zhongnan, Rossmeisl, Jan, Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

67

scopus: Scriptable Bibliometrics Using a Python Interface to Scopus

Rose, Michael, Kitchin, John R.

Journal:

SSRN Electronic Journal

Year:

2019

Language:

english

File:

PDF, 504 KB

english, 2019

68

Studies related to dihydro-1,4-thiazines. Part V. Intramolecular cyclisations of 3,4-dihydro-3-hydroxymethyl-6-methoxycarbonyl-2H-1,4-thiazines

Kitchin, John, Stoodley, Richard J.

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

1973

Language:

english

File:

PDF, 463 KB

english, 1973

69

Separation of CO2 from flue gas using electrochemical cells

Henry W. Pennline, Evan J. Granite, David R. Luebke, John R. Kitchin, James Landon, Lisa M. Weiland

Journal:

Year:

2010

Language:

english

File:

PDF, 618 KB

english, 2010

70

Cover Picture: Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces (ChemCatChem 7/2011)

Isabela C. Man, Hai-Yan Su, Federico Calle-Vallejo, Dr. Heine A. Hansen, Dr. José I. Martínez, Nilay G. Inoglu, Prof. John Kitchin, Prof. Thomas F. Jaramillo, Prof. Jens K. Nørskov, Jan Rossmeisl

Journal:

Year:

2011

Language:

english

File:

PDF, 745 KB

english, 2011

71

Probing the Coverage Dependence of Site and Adsorbate Configurational Correlations on (111) Surfaces of Late Transition Metals

Xu, Zhongnan, Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1006 KB

english, 2014

72

Correlations in coverage-dependent atomic adsorption energies on Pd(111)

Kitchin, John R.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 412 KB

english, 2009

73

The Tail of the Tiger: Experiences and perceptions of unemployment and inactivity in Donegal

Shuttleworth, Ian, Kitchin, Rob, Shirlow, Peter, McDonagh, John

Journal:

Irish Geography

Year:

2000

Language:

english

File:

PDF, 3.12 MB

english, 2000

74

Examples of Effective Data Sharing in Scientific Publishing

Kitchin, John R.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

75

Prospective evaluation of MRI compared with CT for the etiology of abdominal pain in emergency department patients with concern for appendicitis

Harringa, John B., Bracken, Rebecca L., Davis, John C., Mao, Lu, Kitchin, Douglas R., Robbins, Jessica B., Ziemlewicz, Timothy J., Pickhardt, Perry J., Reeder, Scott B., Repplinger, Michael D.

Journal:

Journal of Magnetic Resonance Imaging

Year:

2019

Language:

english

File:

PDF, 634 KB

english, 2019

76

Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy

Griego, Charles D., Kitchin, John R., Keith, John A.

Journal:

International Journal of Quantum Chemistry

Year:

2020

File:

PDF, 2.62 MB

2020

77

A new rearrangement of a 4-mercaptoazetidin-2-one via a thioaldehyde intermediate

Baldwin, Jack E., Jung, Mankil, Kitchin, John

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1981

Language:

english

File:

PDF, 145 KB

english, 1981

78

Effects of Concentration, Crystal Structure, Magnetism, and Electronic Structure Method on First-Principles Oxygen Vacancy Formation Energy Trends in Perovskites

Curnan, Matthew T., Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.97 MB

english, 2014

79

Tuning oxide activity through modification of the crystal and electronic structure: from strain to potential polymorphs

Xu, Zhongnan, Kitchin, John R.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.56 MB

english, 2015

80

Failures of Rubber Insulation Caused by Soil Microörganisms

Blake, John T., Kitchin, Donald W., Pratt, Orison S.

Journal:

Rubber Chemistry and Technology

Year:

1951

File:

PDF, 1.33 MB

1951

81

Studies related to dihydro-1,4-thiazines. Part III. Transformations of methyl (6S)-7-hydroxy-5,5,9,9-tetramethyl-8-oxa-4-thia-1-azabicyclo-[4.3.0]non-2-ene-3-carboxylate

Kitchin, John, Stoodley, Richard J.

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

1973

File:

PDF, 604 KB

1973

82

Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites

Akhade, Sneha A., Kitchin, John R.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.31 MB

english, 2011

83

Investigating the Reactivity of Single Atom Alloys Using Density Functional Theory

Thirumalai, Hari, Kitchin, John R.

Journal:

Topics in Catalysis

Year:

2018

Language:

english

File:

PDF, 2.82 MB

english, 2018

84

Novel dimeric penicillin derived inhibitors of HIV-1 proteinase: interaction with the catalytic aspartates

Duncan S. Holmes, Ian R. Clemens, Kevin N. Cobley, David C. Humber, John Kitchin, David C. Orr, Binakumari Patel, Ian L. Paternoster, Richard Storer

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1993

Language:

english

File:

PDF, 380 KB

english, 1993

85

Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt(1 1 1) bimetallic surfaces: a surface science and density functional theory study

John R Kitchin, Neetha A Khan, Mark A Barteau, Jingguang G Chen, Boris Yakshinskiy, Theodore E Madey

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 486 KB

english, 2003

86

The Microbiological Deterioration of Rubber Insulation

Blake, John T., Kitchin, Donald W., Pratt, Orison S.

Journal:

Rubber Chemistry and Technology

Year:

1953

File:

PDF, 1.03 MB

1953

87

SingleNN: A Modified Behler-Parrinello Neural Network with Shared Weights for Atomistic Simulations with Transferability

Liu, Mingjie, Kitchin, John R.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 788 KB

2020

88

Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces

İnoğlu, Nilay, Kitchin, John R.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 227 KB

english, 2010

89

Diagnostic Accuracy of MRI Versus CT for the Evaluation of Acute Appendicitis in Children and Young Adults

Kinner, Sonja, Pickhardt, Perry J., Riedesel, Erica L., Gill, Kara G., Robbins, Jessica B., Kitchin, Douglas R., Ziemlewicz, Timothy J., Harringa, John B., Reeder, Scott B., Repplinger, Michael D.

Journal:

American Journal of Roentgenology

Year:

2017

Language:

english

File:

PDF, 1003 KB

english, 2017

90

ChemInform Abstract: STUDIES RELATED TO DIHYDRO-1,4-THIAZINES PART 3, TRANSFORMATIONS OF METHYL (6S)-7-HYDROXY-5,5,9,9-TETRAMETHYL-8-OXA-4-THIA-1-AZABICYCLO(4.3.0)NON-2-ENE-3-CARBOXYLATE

KITCHIN, JOHN, STOODLEY, RICHARD J.

Journal:

Chemischer Informationsdienst

Year:

1973

Language:

german

File:

PDF, 254 KB

german, 1973

91

Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(1 1 1) surfaces through adsorbate-induced surface electronic structure effects

Spencer D. Miller, John R. Kitchin

Journal:

Surface Science

Year:

2009

Language:

english

File:

PDF, 891 KB

english, 2009

92

The outlook for improved carbon capture technology

Edward S. Rubin, Hari Mantripragada, Aaron Marks, Peter Versteeg, John Kitchin

Journal:

Progress in Energy and Combustion Science

Year:

2012

Language:

english

File:

PDF, 4.63 MB

english, 2012

93

The Microbiological Deterioration of Rubber Insulation [includes discussion]

Blake, John T., Kitchin, Donald W., Pratt, Orison S.

Journal:

Transactions of the American Institute of Electrical Engineers Part III Power Apparatus and Systems

Year:

1953

Language:

english

File:

PDF, 7.99 MB

english, 1953

94

Redox-Mediated Separation of Carbon Dioxide from Flue Gas

Watkins, John D., Siefert, Nicholas S., Zhou, Xu, Myers, Christina R., Kitchin, John R., Hopkinson, David P., Nulwala, Hunaid B.

Journal:

Year:

2015

Language:

english

File:

PDF, 3.40 MB

english, 2015

95

Quantifying Uncertainty in Activity Volcano Relationships for Oxygen Reduction Reaction

Deshpande, Siddharth, Kitchin, John R., Viswanathan, Venkatasubramanian

Journal:

Year:

2016

Language:

english

File:

PDF, 1.89 MB

english, 2016

96

Neural network predictions of oxygen interactions on a dynamic Pd surface

Boes, Jacob R., Kitchin, John R.

Journal:

Molecular Simulation

Year:

2017

Language:

english

File:

PDF, 2.52 MB

english, 2017

97

A density functional theory parameterised neural network model of zirconia

Wang, Chen, Tharval, Akshay, Kitchin, John R.

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 1.50 MB

english, 2018

98

Identifying Potential BO 2 Oxide Polymorphs for Epitaxial Growth Candidates

Mehta, Prateek, Salvador, Paul A., Kitchin, John R.

Journal:

ACS Applied Materials & Interfaces

Year:

2014

Language:

english

File:

PDF, 871 KB

english, 2014

99

SPIE Proceedings [SPIE Electronic Imaging 2005 - San Jose, CA (Monday 17 January 2005)] Stereoscopic Displays and Virtual Reality Systems XII - Toward natural fiducials for augmented reality

Woods, Andrew J., Kitchin, Paul, Martinez, Kirk, Bolas, Mark T., Merritt, John O., McDowall, Ian E.

Year:

2005

Language:

english

File:

PDF, 101 KB

english, 2005

100

Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces

Akhade, Sneha A., Kitchin, John R.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012

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