Subjects: RESVERATROL; DENSITY functional theory; TIME-dependent density functional theory
Record details
Subjects: DRUG target; ISOMERIZATION; CONFORMATIONAL analysis
Subjects: BIMETALLIC catalysts; HYDROXYL group; AB-initio calculations
Subjects: INFRARED spectroscopy; X-ray diffraction; INFRARED spectra
Subjects: METAL phthalocyanines; ATOMS in molecules theory; ADSORPTION (Chemistry)
Subjects: FLUORESCENT probes; TIME-dependent density functional theory; FRONTIER orbitals
Subjects: DENSITY functional theory; ELECTRON spin states; PHOTOSYNTHESIS
Subjects: DENSITY functional theory; IONIC liquids; COMPOSITE materials
Subjects: PYRRHOTITE; DENSITY functional theory; COVALENT bonds
Subjects: BORATES; AB-initio calculations; DENSITY functional theory