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Volume 3 of Computational Chemistry: Reviews of Current Trends adds well to the first two volumes of the series, presenting results of current developments in t

Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and

There have been important developments in the last decade: computers are faster and more powerful, code features are enhanced and more efficient, and larger mol

For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental me

A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry pro