Molecular structure - Computer simulation.

De novo molecular design[electronic resource] / …で: (言語・文字資料 (印刷物))

Computer-based structure elucidation from spectral data[electronic resource] :the art of solving problems / …で: (言語・文字資料 (印刷物))

Molecules

Molecular structure

Chemistry.

Organic Chemistry.

Cheminformatics.

Spectrum analysis

Structural bioinformatics.

Spectroscopy/Spectrometry.

Physical Chemistry.

Molecular structure

Computer Applications in Chemistry.