Yuji Takahata

Quantitative Structure-Activity Relationships for 1,4-Dihydropyridine Calcium Channel Antagonists (Nifedipine Analogues): A Quantum ChemicalKlassical Approach

Anderson Coser Gaudio, Andrejus Korolkovas, Yuji Takahata · Journal of Pharmaceutical Sciences · 1994 · 145 citations

Combinatorial Chemistry, Quantum Chemicalklassical Approach, Nifedipine Analogues +9

DFT calculation of core-electron binding energies

Yuji Takahata, Delano P. Chong · Journal of Electron Spectroscopy and Related Phenomena · 2003 · 116 citations

Engineering, Physics, Natural Sciences +5

Estimation of Hammett sigma constants of substituted benzenes through accurate density‐functional calculation of core‐electron binding energy shifts

Yuji Takahata, Delano P. Chong · International Journal of Quantum Chemistry · 2005 · 79 citations

Engineering, Organic Chemistry, Computational Chemistry +17

Theoretical and experimental study of a praziquantel and -cyclodextrin inclusion complex using molecular mechanic calculations and -nuclear magnetic resonance

Marcelo Bispo de Jesus, Luciana de Matos Alves Pinto, Leonardo Fernandes Fraceto et al. · Journal of Pharmaceutical and Biomedical Analysis · 2006 · 38 citations

Linear Chain Compound, Natural Sciences, Molecular Mechanic Calculations +8

Density functional theory calculation of 2p core-electron binding energies of Si, P, S, Cl, and Ar in gas-phase molecules

Maximiliano Segala, Yuji Takahata, Delano P. Chong · Journal of Electron Spectroscopy and Related Phenomena · 2005 · 34 citations

Electron Density, Engineering, Physics +10