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1. Full Text Predicting survival in malignant pleural effusion: development and validation of the LENT prognostic score
by Clive, Amelia O and Kahan, Brennan C and Hooper, Clare E and Bhatnagar, Rahul and Morley, Anna J and Zahan-Evans, Natalie and Bintcliffe, Oliver J and Boshuizen, Rogier C and Fysh, Edward T H and Tobin, Claire L and Medford, Andrew R L and Harvey, John E and van den Heuvel, Michel M and Lee, Y C Gary and Maskell, Nick A
Thorax, ISSN 0040-6376, 12/2014, Volume 69, Issue 12, pp. 1098 - 1104
Life Sciences & Biomedicine | Respiratory System | Science & Technology | L-Lactate Dehydrogenase - metabolism | Severity of Illness Index | Risk Assessment - methods | Reproducibility of Results | Prognosis | Humans | Middle Aged | Netherlands - epidemiology | Kaplan-Meier Estimate | Male | Australia - epidemiology | Pleural Effusion, Malignant - etiology | Aged, 80 and over | Biomarkers, Tumor - metabolism | Female | Pleural Effusion, Malignant - mortality | Aged | United Kingdom - epidemiology | Cohort Studies | Databases, Factual | Pleural Effusion, Malignant - diagnosis | Pleural effusions | Decision-making | Care and treatment | Analysis | Studies | Variables | Survival analysis | Medical prognosis | Mortality | Neutrophils | Mesothelioma | Cancer | Index Medicus | Pleural Disease | Lung Cancer | 1506
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2. Full Text Photon-Driven Nitrogen Fixation: Current Progress, Thermodynamic Considerations, and Future Outlook
by Medford, Andrew J and Hatzell, Marta C
ACS catalysis, ISSN 2155-5435, 04/2017, Volume 7, Issue 4, pp. 2624 - 2643
photogeochemistry | titania | solar fuel | ammonia | nitrogen fixation | photocatalysis | fertilizer | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
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3. Full Text To address surface reaction network complexity using scaling relations machine learning and DFT calculations
by Ulissi, Zachary W and Medford, Andrew J and Bligaard, Thomas and Nørskov, Jens K and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Nature communications, ISSN 2041-1723, 03/2017, Volume 8, Issue 1, pp. 14621 - 14621
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | reaction mechanisms | MATHEMATICS AND COMPUTING | catalytic mechanism | heterogeneous catalysis | density functional theory
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4. Full Text Classification of biomass reactions and predictions of reaction energies through machine learning
by Chang, Chaoyi and Medford, Andrew J
The Journal of chemical physics, ISSN 0021-9606, 07/2020, Volume 153, Issue 4, pp. 44126 - 044126
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Discriminant analysis | Electronic structure | Algorithms | Machine learning | Workflow | Regression analysis | Biomass | Representations | Index Medicus
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5. Full Text Assessing the reliability of calculated catalytic ammonia synthesis rates
by Andrew J. Medford and Jess Wellendorff and Aleksandra Vojvodic and Felix Studt and Frank Abild-Pedersen and Karsten W. Jacobsen and Thomas Bligaard and Jens K. Nørskov and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Science (American Association for the Advancement of Science), ISSN 0036-8075, 7/2014, Volume 345, Issue 6193, pp. 197 - 200
Ammonia | Adsorption | Catalysts | Linear regression | Electron diffraction | REPORTS | Materials | Surface science | Catalysis | Kinetics | Nitrogen | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Research | Chemical properties | Metal catalysts | Chemical research | Catalytic reforming | Chemical synthesis | Density | Uncertainty | Synthesis | Mathematical analysis | Surface chemistry
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6. Full Text Corrigendum to “Elementary steps of syngas reactions on Mo2C(0 0 1): Adsorption thermochemistry and bond dissociation” [J. Catal. 290 (2012) 108–117]
by Medford, Andrew J and Vojvodic, Aleksandra and Studt, Felix and Abild-Pedersen, Frank and Nørskov, Jens K
Journal of catalysis, ISSN 0021-9517, 12/2012, Volume 296, pp. 175 - 175
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7. Full Text From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
by Medford, Andrew J and Vojvodic, Aleksandra and Hummelshøj, Jens S and Voss, Johannes and Abild-Pedersen, Frank and Studt, Felix and Bligaard, Thomas and Nilsson, Anders and Nørskov, Jens K
Journal of catalysis, ISSN 0021-9517, 08/2015, Volume 328, Issue C, pp. 36 - 42
Sabatier principle | Scaling relation | Heterogeneous catalysis | Transition metals | DFT | Theory | Computational catalysis | Descriptor | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | Catalysts | Metals | Catalysis
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8. Full Text CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
by Medford, Andrew J and Shi, Chuan and Hoffmann, Max J and Lausche, Adam C and Fitzgibbon, Sean R and Bligaard, Thomas and Nørskov, Jens K and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Catalysis letters, ISSN 1011-372X, 02/2015, Volume 145, Issue 3, pp. 794 - 807
Heterogeneous catalysis | Surface reaction kinetics | Ab initio calculations | Kinetic modeling | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Algorithms | Parameters | Catalysts | Modules | Mapping | Oxidation | Mathematical models | Catalysis | Trends
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9. Full Text Elementary steps of syngas reactions on Mo2C(001): Adsorption thermochemistry and bond dissociation
by Medford, Andrew J and Vojvodic, Aleksandra and Studt, Felix and Abild-Pedersen, Frank and Nørskov, Jens K and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Journal of catalysis, ISSN 0021-9517, 06/2012, Volume 290, pp. 108 - 117
Surface termination | Brønsted–Evans–Polanyi relationships | Density functional theory | Molybdenum carbide | Adsorption energy scaling | Surface composition | Synthesis gas conversion | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | Surface physical chemistry | General and physical chemistry | Catalysis | Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry | Exact sciences and technology | Thermodynamics | Chemical reactions | SYNTHESIS GAS | CATALYSIS | CARBIDES | CARBON | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | DENSITY FUNCTIONAL METHOD | TRANSITION ELEMENTS | ADSORPTION | OXYGEN | THERMODYNAMICS | DISSOCIATION | KINETICS | CHEM, COMP, MATSCI
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10. Full Text Degree of rate control approach to computational catalyst screening
by Wolcott, Christopher A and Medford, Andrew J and Studt, Felix and Campbell, Charles T and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Journal of catalysis, ISSN 0021-9517, 10/2015, Volume 330, Issue C, pp. 197 - 207
Catalyst screening | Computational catalysis | Degree of rate control | Density functional theory | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | Methane | Density functionals | Catalysis | Analysis | Catalysts | Kinetics
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11. Full Text Methanol-to-hydrocarbons conversion: The alkene methylation pathway
by Brogaard, Rasmus Y and Henry, Reynald and Schuurman, Yves and Medford, Andrew J and Moses, Poul Georg and Beato, Pablo and Svelle, Stian and Nørskov, Jens K and Olsbye, Unni and SLAC National Accelerator Lab., Menlo Park, CA (United States)
Journal of catalysis, ISSN 0021-9517, 05/2014, Volume 314, Issue C, pp. 159 - 169
ZSM-22 | Micro-kinetic modeling | Alkene methylation | Reaction pathway | Density functional theory | Zeolite catalysis | Methanol-to-hydrocarbons conversion | Temporal analysis of products | Engineering | Physical Sciences | Engineering, Chemical | Chemistry | Technology | Chemistry, Physical | Science & Technology | Surface physical chemistry | Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry | Exact sciences and technology | Ion-exchange | Zeolites: preparations and properties | General and physical chemistry | Catalysis | Methylation | Olefins | Methanol | Hydrocarbons | DNA methylation | Environmental and Society | Chemical Sciences | Environmental Sciences
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