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The Journal of Physical Chemistry. A
|
August 2, 2007
Strong electron correlation effects on first- and second-order hyperpolarizabilities in zwitterionic sigma-conjugated systems: its dependence on substituents, conformations, spacer size, and basis sets
Yuuichi Orimoto, Yuriko Aoki
Journal of Chemical Theory and Computation
|
December 3, 2015
Analytical Method for Predicting Ferromagnetic Properties of Benzyl-Radical Polymers Based on NBMO Theory
Yuuichi Orimoto, Yuriko Aoki
The Journal of Chemical Physics
|
July 17, 2016
Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA
Yuuichi Orimoto, Yuriko Aoki
Journal of Computational Chemistry
|
August 10, 2019
Extent of structural change during the reaction and its relationship to isoselectivity in polypropylene polymerization with ansa-zirconocene/borate catalyst: A computational study
Yuuichi Orimoto, Satoru Shirane, Yuriko Aoki
Journal of Chemical Theory and Computation
|
November 24, 2015
Substituent Effects on Menshutkin-Type Reactions in the Gas Phase and Solutions: Theoretical Approach from the Orbital Interaction View
Lizhi Jiang, Yuuichi Orimoto, Yuriko Aoki
Molecules (Basel, Switzerland)
|
May 7, 2025
Mechanistic Study of Substituent Effect on Photoinduced O-C Bond Activation in Polycarbonate
Xiao Huang, Yuuichi Orimoto, Yuriko Aoki
Molecules (Basel, Switzerland)
|
June 13, 2025
Application of Elongation Method-Based Alternating Property Optimization: (Hyper)polarizability of Substituted Polyfuran
Shichen Lin, Yuuichi Orimoto, Yuriko Aoki
The Journal of Chemical Physics
|
June 1, 2022
Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymers
Yuuichi Orimoto, Keisuke Hisama, Yuriko Aoki
Molecules (Basel, Switzerland)
|
September 13, 2025
Theoretical Examination on the Chiral Separation Mechanism of Ibuprofen on Cellulose Tris(4-methylbenzoate)
Xiao Huang, Yuuichi Orimoto, Yuriko Aoki
Journal of Computational Chemistry
|
February 8, 2025
Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its Application
Shichen Lin, Yuuichi Orimoto, Yuriko Aoki
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of 3
Search research articles
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Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
August 2, 2007
Strong electron correlation effects on first- and second-order hyperpolarizabilities in zwitterionic sigma-conjugated systems: its dependence on substituents, conformations, spacer size, and basis sets
Yuuichi Orimoto, Yuriko Aoki
Journal of Chemical Theory and Computation
|
December 3, 2015
Analytical Method for Predicting Ferromagnetic Properties of Benzyl-Radical Polymers Based on NBMO Theory
Yuuichi Orimoto, Yuriko Aoki
The Journal of Chemical Physics
|
July 17, 2016
Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA
Yuuichi Orimoto, Yuriko Aoki
Journal of Computational Chemistry
|
August 10, 2019
Extent of structural change during the reaction and its relationship to isoselectivity in polypropylene polymerization with ansa-zirconocene/borate catalyst: A computational study
Yuuichi Orimoto, Satoru Shirane, Yuriko Aoki
Journal of Chemical Theory and Computation
|
November 24, 2015
Substituent Effects on Menshutkin-Type Reactions in the Gas Phase and Solutions: Theoretical Approach from the Orbital Interaction View
Lizhi Jiang, Yuuichi Orimoto, Yuriko Aoki
Molecules (Basel, Switzerland)
|
May 7, 2025
Mechanistic Study of Substituent Effect on Photoinduced O-C Bond Activation in Polycarbonate
Xiao Huang, Yuuichi Orimoto, Yuriko Aoki
Molecules (Basel, Switzerland)
|
June 13, 2025
Application of Elongation Method-Based Alternating Property Optimization: (Hyper)polarizability of Substituted Polyfuran
Shichen Lin, Yuuichi Orimoto, Yuriko Aoki
The Journal of Chemical Physics
|
June 1, 2022
Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymers
Yuuichi Orimoto, Keisuke Hisama, Yuriko Aoki
Molecules (Basel, Switzerland)
|
September 13, 2025
Theoretical Examination on the Chiral Separation Mechanism of Ibuprofen on Cellulose Tris(4-methylbenzoate)
Xiao Huang, Yuuichi Orimoto, Yuriko Aoki
Journal of Computational Chemistry
|
February 8, 2025
Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its Application
Shichen Lin, Yuuichi Orimoto, Yuriko Aoki
Page
of 3