Molecular structure - Computer simulation.

Computer-based structure elucidation from spectral data = the art of solving problems / by: (書目-語言資料,印刷品)

Hybrid Methods of Molecular Modeling by: (書目-語言資料,印刷品)

Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics / by: (書目-語言資料,印刷品)

De novo molecular design by: (書目-語言資料,印刷品)

Computer modelling in inorganic crystallography by: (書目-語言資料,印刷品)

Quantum chemistry

Chemistry

Computer Applications in Chemistry.

Molecules

Spectrum analysis

Cheminformatics.

Inorganic compounds

Physical Chemistry.

Molecular structure

Materials Science.

Spectroscopy/Spectrometry.

Theoretical and Computational Chemistry.

Computer Appl. in Life Sciences.

Chemistry, Physical and theoretical

Chemistry.

Nanotechnology.

Crystallography

Structural bioinformatics.

Organic Chemistry.