Search Results - "Miller, Carrie S"
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1
Phosphate Vibrations Probe Local Electric Fields and Hydration in Biomolecules
Published in Journal of the American Chemical Society (31-08-2011)“…The role of electric fields in important biological processes such as binding and catalysis has been studied almost exclusively by computational methods…”
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Journal Article -
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Web-based computational chemistry education with CHARMMing I: Lessons and tutorial
Published in PLoS computational biology (01-07-2014)“…This article describes the development, implementation, and use of web-based "lessons" to introduce students and other newcomers to computer simulations of…”
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Journal Article -
3
Comparing Classical Water Models Using Molecular Dynamics To Find Bulk Properties
Published in Journal of chemical education (08-05-2018)“…A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics…”
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Journal Article -
4
Walsh Diagrams: Molecular Orbital and Structure Computational Chemistry Exercise for Physical Chemistry
Published in Journal of chemical education (09-06-2015)“…The increasing importance of computational chemistry in modern chemistry provides an impetus to increase the incorporation of computational exercises in the…”
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Journal Article -
5
Correction to Walsh Diagrams: Molecular Orbital and Structure Computational Chemistry Exercise for Physical Chemistry
Published in Journal of chemical education (11-08-2015)Get full text
Journal Article -
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Web-Based Computational Chemistry Education with CHARMMing I: Lessons and Tutorial: e1003719
Published in PLoS computational biology (01-07-2014)“…This article describes the development, implementation, and use of web-based "lessons" to introduce students and other newcomers to computer simulations of…”
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Journal Article -
7
Carbon-deuterium vibrational probes of gas- and condensed-phase amino acid structure and protonation state
Published 01-01-2010“…Vibrational spectroscopy of proteins labeled with site-specific carbon-deuterium (C-D) bonds is emerging as a powerful experimental technique for investigating…”
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Dissertation -
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Carbon-deuterium vibrational probes of gas- and condensed-phase amino acid structure and protonation state
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Dissertation -
9
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Published in Journal of nutrition education and behavior (01-07-2007)Get full text
Journal Article