2008 - 2010 Development of highly accurate Multi-Component Molecular Theory and its application
Show all
Papers (67)：
Kaito Dohi, Masanori Tachikawa, Yukiumi Kita. Theoretical analysis of H/D isotope effect on the binding of a positron to acetaldehyde molecule. The European Physical Journal D. 2024. 78. 8. 110
Mio Takakuwa, Yukiumi Kita, Tomomi Shimazaki, Yusuke Kanematsu, Takayoshi Ishimoto, Motoyasu Adachi, Masanori Tachikawa. Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein with Multi-Component Density Functional Theory. Bulletin of the Chemical Society of Japan. 2023. 96. 7. 711-716
Shumpei Ito, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa. Stability and bonding nature of positronic lithium molecular dianion. The Journal of chemical physics. 2023. 158. 20
Miku Furushima, Makito Takagi, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa. Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n (n = 1-5). Physical Chemistry Chemical Physics. 2023. 25. 1. 625-632
Kiriko Ishii, Tomomi Shimazaki, Masanori Tachikawa, Yukiumi Kita. Theoretical Study of the Isotope and Homologue Effects on Nuclear Magnetic Shielding in Water and Hydrogen Sulfide Molecules. Chemistry Letters. 2022. 51. 3. 342-344
Kita Yukiumi, Tachikawa Masanori. 27aCH-4 Theoretical investigation of the binding of a positron to polyatomic molecules. Meeting abstracts of the Physical Society of Japan. 2014. 69. 1. 173-173
First-principles study on the binding of a positron to polyatomic molecules
(XIX International Workshop on Low-Energy Positron and Positronium Physics 2017)
First principles study on the binding of a positron to vibrating molecules
(The International Symposium on Pure & Applied Chemistry 2017 2017)
The effect of molecular vibrations on the binding of a positron to polyatomic molecules: theoretical study with multi-component molecular orbital and quantum Monte Carlo methods
(Vietnam Malaysia International Chemical Congress 2014)
Theoretical investigation of positron binding to polar molecules with quantum Monte Carlo method
(Cambodian Malaysian Chemical Conference 2012)
- 2007 Yokohana City University Graduate school of Integrated Science Department of Natural System Science
Professional career (1)：
博士(理学) (横浜市立大学)
Awards (3)：
2010/05 - Society of Computer Chemistry, Japan Yoshida Award Theoretical Analysis of Molecular Orientational Transition in Solid C60
2010/04 - The 90nd Annual Meeting of The Chemical Society of Japan Excellent Presentation Award Quantum Monte Carlo study of the positron adsorption to alkali metal hydrides
2007/03 - The 87nd Annual Meeting of The Chemical Society of Japan Student Excellent Presentation Award Ab Initio Quantum Monte Carlo Study on the Positron Adsorption into Polyatomic Molecules
Association Membership(s) (5)：
Japan Society of Theoretical Chemistry
, JAPAN SOCIETY FOR MOLECULAR SCIENCE
, SOCIETY OF COMPUTER CHEMISTRY, JAPAN
, THE CHEMICAL SOCIETY OF JAPAN
, THE PHYSICAL SOCIETY OF JAPAN
