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Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes
Bo Chen
,
Vincent H. Crespi
, Roald Hoffmann
Chemistry
Physics
Materials Research Institute (MRI)
Research output
:
Contribution to journal
›
Article
›
peer-review
12
Scopus citations
Overview
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Dive into the research topics of 'Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes'. Together they form a unique fingerprint.
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Keyphrases
Activation Barrier
20%
Activation Volume
100%
Ambient Pressure
20%
Aromaticity
20%
Crystalline Order
20%
Cycloaddition
100%
Diels-Alder
20%
Dipole Moment
20%
Energy Minimum
20%
Formation Stability
20%
Formation Structure
20%
Furan
100%
High Energy
20%
Lone Pair
20%
Nanothreads
100%
Oligomerization
20%
Polymer Structure
20%
Pressure Effect
20%
Reaction Coordinate
20%
Reaction Profile
20%
Repulsion
20%
Thiophene
100%
Three-dimensional (3D)
20%
Two Dimensional
20%
Two-directional
20%
Volume Decrease
20%
Zigzag
20%
Material Science
Oligomerization
50%
Polymer Structure
50%
Polymerization
100%
Chemical Engineering
Oligomerization
33%
Polymerization
66%
Thiophene
100%