Aims & Scope

Computational Chemistry (CC) is a unique platform for publishing novel ideas, research outcomes and fundamental advances in all aspects of computational chemistry.

All manuscripts must be prepared in English and are subject to a rigorous and fair peer-review process. Generally, accepted papers will appear online within 3 weeks followed by printed hard copy. The journal publishes original papers including but not limited to the following fields:

· Ab Initio Quantum Mechanics

· Chemical Artificial Intelligence

· Chemical Computer-Assisted Instruction

· Cheminformatics

· Chemistry Database

· Code Benchmarking

· Computational Analytical Chemistry

· Computational Biochemistry

· Computational Biophysics

· Computational Colloidal Chemistry

· Computational Electro-chemistry

· Computational Nanochemistry

· Computational Surface Chemistry

· Computer Molecular Modeling

· Computer-aided Drug Design

· Data Acquisition, Statistic Analysis and Other Applications

· Density Functional Theory

· Force Field Development and Testing

· Molecular Design

· Molecular Dynamics

· Molecular Mechanics

· Molecular Modeling

· Molecular Simulation

· Molecular Structure Modeling and Image Display

· Quantum Chemistry Calculation

· Semi-Empirical Quantum Mechanics

· Statistical Mechanics

· Theoretical Inorganic Chemistry

· Theoretical Organic Chemistry

· Theoretical Thermo Chemistry

We are also interested in:
1) Short reports—2-5 page papers where an author can present either preliminary data or an idea with theoretical background, but has not yet completed the research needed for a complete paper;
2) Short communications—2-5 page papers;
3) Technical notes—2-5 page papers;
4) Letters to the Editor (the number of pages is not restricted);
5) Reviews or book reviews—comments and critiques (the number of pages is not restricted);
6) Advertisement – 1-2 page papers;
7) News Letters – 1-5 page papers.