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Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 25 Similar Profiles
elongation Physics & Astronomy
Elongation Chemical Compounds
Molecular orbitals Chemical Compounds
molecular orbitals Physics & Astronomy
Polymers Chemical Compounds
Molecules Chemical Compounds
polymers Physics & Astronomy
Electronic structure Chemical Compounds

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Research Output 1985 2018

Ab initio electronic structure calculation of polymononucleotide, a model of B-type DNA

Teramae, H. & Aoki, Y., Nov 30 2018, International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018. Simos, T. E., Kalogiratou, Z., Monovasilis, T., Simos, T. E. & Simos, T. E. (eds.). American Institute of Physics Inc., Vol. 2040. 020013

Research output: Chapter in Book/Report/Conference proceedingConference contribution

helices
deoxyribonucleic acid
electronic structure
guanines
sodium

One-Handed Helical Orbitals in Conjugated Molecules

Aoki, Y., Orimoto, Y. & Imamura, A., Jun 27 2018, In : ACS Central Science. 4, 6, p. 664-665 2 p.

Research output: Contribution to journalShort survey

Molecules
Viologens
Iodides
Molecular orbitals
iodides
Charge transfer
1 Citation (Scopus)

An attempt at ab initio crystal orbital calculation of electronic structure of B-type model-DNA

Teramae, H. & Aoki, Y., Nov 28 2017, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. Simos, T. E., Simos, T. E., Simos, T. E., Monovasilis, T. & Kalogiratou, Z. (eds.). American Institute of Physics Inc., 030023. (AIP Conference Proceedings; vol. 1906).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

deoxyribonucleic acid
electronic structure
orbitals
helices
conduction bands

Computational scheme to determine local vibrations of large systems using elongation method

Jin, L., Yan, Y. A. & Aoki, Y., Jan 1 2017, In : Theoretical Chemistry Accounts. 136, 1, 11.

Research output: Contribution to journalArticle

Vibration
Vibrations (mechanical)
elongation
Elongation
Hessian matrices