A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview von Guthrie, J. Peter

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The SAMPL2 blind prediction challenge: introduction and overview von Geballe, Matthew T., Skillman, A. Geoffrey, Nicholls, Anthony, Guthrie, J. Peter, Taylor, Peter J.

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Marcus Analysis of Ambident Reactivity von Breugst, Martin, Zipse, Hendrik, Guthrie, J. Peter, Mayr, Herbert

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Blind prediction of solvation free energies from the SAMPL4 challenge von Mobley, David L., Wymer, Karisa L., Lim, Nathan M., Guthrie, J. Peter

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The SAMPL3 blind prediction challenge: transfer energy overview von Geballe, Matthew T., Guthrie, J. Peter

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Presenting data in such a fashion that they can be used by other scientists von Guthrie, J. Peter

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Hydration of Carbonyl Compounds, an Analysis in Terms of Multidimensional Marcus Theory von Guthrie, J. Peter

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Click fleximers: a modular approach to purine base-expanded ribonucleoside analogues von St Amant, André H, Bean, Leslie A, Guthrie, J Peter, Hudson, Robert H E

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Hydration of nitriles: an examination in terms of No Barrier Theory von Guthrie, J. Peter, Yim, Jacky C.-H., Wang, Qiang

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Rate constants for decarboxylation reactions calculated using no barrier theory von Guthrie, J. Peter, Peiris, Sriyawathie, Simkin, Margaret, Wang, Yun

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No-Barrier Theory: Calculating Rates of Chemical Reactions from Equilibrium Constants and Distortion Energies von Guthrie, J. Peter

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The Strecker reaction an examination in terms of no-barrier theory von Guthrie, J Peter, Bhaskar, Goonisetty

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Uncatalyzed and Amine Catalyzed Decarboxylation of Acetoacetic Acid: An Examination in Terms of No Barrier Theory von Guthrie, J.Peter

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Prediction of Rate Constants for Cyanohydrin Formation Using Equilibrium Constants and Distortion Energies von Guthrie, J. Peter

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The hydration of ketene and carbon dioxide: an examination of the kinetics in terms of No Barrier Theory von Guthrie, J. Peter

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Prediction of the Rate Constants for Proton Abstraction from Carbon Acids, Using a Simple Model and Multidimensional Marcus Theory von Guthrie, J. Peter

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Use of DFT Methods for the Calculation of the Entropy of Gas Phase Organic Molecules:  An Examination of the Quality of Results from a Simple Approach von Guthrie, J. Peter

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A mass spectrometric investigation of clusters formed by sodium cations and pentacyanonitrosylferrate(2−) anions in the gas phase, and an exploration of structures of some of the c... von Dean, Philip A.W., Fisher, Keith J., Guthrie, J. Peter, Willett, Gary D.

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Click fleximers: a modular approach to purine base-expanded ribonucleoside analoguesElectronic supplementary information (ESI) available: Complete experimental details and characte... von St. Amant, André H, Bean, Leslie A, Guthrie, J. Peter, Hudson, Robert H. E

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Heats of Formation from DFT Calculations:  An Examination of Several Parameterizations von Guthrie, J. Peter

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