Journal of Theoretical and Computational Chemistry


The Journal of Theoretical and Computational Chemistry was founded in 2002 and is published by World Scientific. It is an interdisciplinary journal covering developments in theoretical and computational chemistry, as well as their applications to other scientific fields, such as physics, biology and material sciences. Articles are broadly categorized into quantum chemistry, chemical dynamics, statistical mechanics, kinetic theory, biochemistry, chemical biology, electrochemistry, and nanotechnology, ranging from fundamental theory, theoretical methods and computational algorithms to numerical applications, such as in chemical, biological and nano–bio systems.

Abstracting and indexing

The journal is abstracted and indexed in:
According to its homepage, the journal has a 2019 impact factor of 0.848.