Journal Title：Journal Of Computational Chemistry

This distinguished journal publishes articles concerned with all aspects of computational chemistry: analytical, biological, inorganic, organic, physical, and materials. The Journal of Computational Chemistry presents original research, contemporary developments in theory and methodology, and state-of-the-art applications. Computational areas that are featured in the journal include ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics.

这本杰出的期刊发表的文章涉及计算化学的各个方面：分析、生物、无机、有机、物理和材料。 《计算化学杂志》介绍了原创研究、理论和方法的当代发展以及最先进的应用。该杂志收录的计算领域包括从头算和半经验量子力学、密度泛函理论、分子力学、分子动力学、统计力学、化学信息学、生物分子结构预测、分子设计和生物信息学。