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Exploration of Carbon Allotropes with Four-membered Ring Structures on Quantum Chemical Potential Energy Surfaces.
Koichi Ohno
Hiroko Satoh
Takeaki Iwamoto
Hiroaki Tokoyama
Hideo Yamakado
Published in:
J. Comput. Chem. (2019)
Keyphrases
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three dimensional
energy minimization
chemical compounds
carbon dioxide
quantum computation
neural network
free form
image sequences
range data
energy efficiency
complex structures
discovery process
chemical engineering