Perspectives on Computational Organic Chemistry

Computational Organic Chemistry

Further Perspectives in Organic Chemistry

Computational perspectives on minimalism

While research in ‘principles and parameters’ tradition [18] can be regarded as attributing as much as possible to universal grammar (UG) in order to understand how language acquisition is possible, Chomsky characterizes the ‘minimalist program’ as an effort to attribute as little as possible to UG while still accounting for the apparent diversity of human languages [23, p.4]. Of course, these ...

Computational chemistry

Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlig...

International Union of Pure and Applied Chemistry Organic Chemistry Division Commission on Physical Organic Chemistry Glossary of Terms Used in Theoretical Organic Chemistry

The glossary contains de®nitions and explanatory notes for more than 450 terms used in the context of multidisciplinary research and publications related to applications of modern theoretical concepts, computational and graph-theoretical methods to investigation into structure, reactivity, spectroscopic and other physical and physicochemical properties of organic, organometallic and metal coord...