Yukio Kawashima
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Photochemistry and Electron Transfer Studies, Molecular Spectroscopy and Structure, Quantum Computing Algorithms and Architecture
Most-Cited Works
- → Theoretical study of the valence π → π * excited states of polyacenes: anthracene and naphthacene(1999)85 cited
- → Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition(2021)59 cited
- → Activation of Steroid and Xenobiotic Receptor (SXR, NR1I2) and Its Orthologs in Laboratory, Toxicologic, and Genome Model Species(2008)54 cited
- → UTChem — A Program for ab initio Quantum Chemistry(2003)49 cited
- → Theoretical study of the π → π∗ excited states of linear polyene radical cations and dications(1997)44 cited
- → Recommended approaches to the scientific evaluation of ecotoxicological hazards and risks of endocrine-active substances(2017)44 cited
- → Assessment of free energy expressions in RISM integral equation theory: theoretical prediction of partition coefficients revisited(2009)44 cited
- → Water Cluster Anions Studied by the Long-Range Corrected Density Functional Theory(2008)41 cited
- → From C60 to Infinity: Large-Scale Quantum Chemistry Calculations of the Heats of Formation of Higher Fullerenes(2016)41 cited
- → Monte Carlo microsolvation simulations for excited states using a mixed-Hamiltonian model with polarizable and vibrating waters: Applications to the blueshift of the H2CO 1(π*←n) excitation(2002)38 cited