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Brown University Open Data Collection
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software, multimedia
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formaldehyde
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geodesics
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physical chemistry
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potential energy landscapes
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reaction dynamics
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formaldehyde
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Source code for "Potential landscape perspectives on roaming: Insights on formaldehyde from geodesics paths"
Description:
We developed the techniques necessary to calculate and analyze geodesics on a small-molecule system, and then compute them on an established surface for formaldehyde. We …
Year:
2018
Contributor:
Cofer-Shabica, D. Vale (Creator)
Subject:
formaldehyde
geodesics
roaming
physical chemistry
theoretical chemistry
reaction dynamics
potential energy landscapes
Collection:
Brown University Open Data Collection
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