這本杰出的雜志出版有關(guān)計(jì)算化學(xué)的所有方面的文章:分析，生物，無機(jī)，有機(jī)，物理和材料。計(jì)算化學(xué)雜志介紹了原始的研究，理論和方法論的當(dāng)代發(fā)展，以及最先進(jìn)的應(yīng)用。計(jì)算領(lǐng)域包括從頭算和半經(jīng)驗(yàn)量子力學(xué)、密度泛函理論、分子力學(xué)、分子動(dòng)力學(xué)、統(tǒng)計(jì)力學(xué)、化學(xué)信息學(xué)、生物分子結(jié)構(gòu)預(yù)測(cè)、分子設(shè)計(jì)和生物信息學(xué)。

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.