Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry:...

Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier. It was established in 1985 as Journal of Molecular...

Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. It uses methods of theoretical chemistry incorporated...

quantum-mechanical basis into a new theoretical framework. Many chemists were introduced to the field of quantum chemistry by Pauling's 1939 text The Nature...

again, there is very strong overlap. Theoretical chemistry is the study of chemistry via fundamental theoretical reasoning (usually within mathematics...

nuclear chemistry, organic chemistry, inorganic chemistry, polymer chemistry, analytical chemistry, physical chemistry, theoretical chemistry, quantum...

equations. It is usually associated with quantum chemistry and theoretical chemistry. Physical chemistry is a distinct discipline from chemical physics...

Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the...

Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical...

In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function...