Haverford College

Haverford College: Haverford Scholarship
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    8149 research outputs found

    Crystal Chute Moves on Pipe Dreams

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    Orthodox Christians and the Rights Revolution in America [book review]

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    Diverse Perspectives in Photography: Four Black Guggenheim Fellows in the Philadelphia Region

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    The work of four Guggenheim Fellows will be on display in the Stockton University Art Gallery from September to November. Including: Ron Tarver, Donald E. Camp, Wendel A. White, and William E. Williams

    Exploring the compatibility of phosphopantetheinyl transferases with acyl carrier proteins spanning type II polyketide synthase sequence space

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    This paper is co-authored with 48 Haverford students from the Classes of 2023, 2024, and 2025

    Using Artificial Neural Networks to Simulate Social Category Learning: A Tutorial

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    This tutorial introduces the use of connectionist (or artificial neural net-work) computational modeling to understand mechanisms for social psychological phenomena. We explain how modeling requires researchers to make explicit their assumptions and make concrete their operationalization for hypothesized mechanisms. The tutorial walks readers through the conceptual steps of how to design an artificial neural network based on Lei et al. (2020) and how to implement key theoretical assumptions.The tutorial is also accompanied by a detailed and commented technical guide available on the Open Science Framework. The model replicated key findings from past behavioral data and provides support for hypothesized theoretical assumptions. Implications for how and why researchers might incorporate modeling into their own research and theorizing are discusse

    Development of a Spectroscopic Map to Explain the Broad Raman Peak for Alkynes Solvated in Triethylamine

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    The terminal alkyne C≡C stretch has a large Raman scattering cross section in the “silent” region for biomolecules. Experimental work taking advantage of this property provide an impetus for the development of theoretical tools addressing the vibration. In prior work, we have developed a localized normal mode method for computing terminal alkyne vibrational frequencies using a discrete variable representation of the potential energy surface. Using this method and molecular dynamics simulations, we interpret the unusually broad Raman spectrum of alkynes solvated in triethylamine. Energy decomposition analysis is performed on alkyne-triethylamine dimers to determine that charge transfer, electrostatics, and Pauli repulsion have large effects on the frequency. Molecular dynamics simulations of triethylamine-solvated alkynes are performed and uncover that the terminal alkyne hydrogen interacts strongly with the triethylamine nitrogen. Interactions persist for 3–10 ps. Using this data, a spectroscopic map for terminal alkynes is developed and used to compute Raman spectra for alkynes in triethylamine. We find that the broad experimental spectra result from the combination of a population of alkynes associated with the solvent nitrogens and a population not associated with those nitrogens. This work sets the stage for investigations of alkynes in more complex environments like proteins and nanomaterial surfaces

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    Haverford College: Haverford Scholarship is based in United States
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