Molecular structure - Computer simulation.

Computer-based structure elucidation from spectral data = the art of solving problems / by: (Language materials, printed)

Hybrid Methods of Molecular Modeling by: (Language materials, printed)

Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics / by: (Language materials, printed)

De novo molecular design by: (Language materials, printed)

Computer modelling in inorganic crystallography by: (Language materials, printed)

Quantum chemistry

Chemistry

Molecules

Inorganic compounds

Molecular structure

Spectroscopy/Spectrometry.

Computer Appl. in Life Sciences.

Chemistry, Physical and theoretical

Chemistry.

Nanotechnology.

Structural bioinformatics.

Computer Applications in Chemistry.

Spectrum analysis

Cheminformatics.

Physical Chemistry.

Materials Science.

Theoretical and Computational Chemistry.

Crystallography

Organic Chemistry.