Home Chemistry Computational Chemistry Essentials of Computational Chemistry Theories and Models second edition pdf

Essentials of Computational Chemistry Theories and Models second edition pdf

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download. Computational chemistry, alternatively sometimes called theoretical chemistry or molecular modeling (reflecting a certain factionalization amongst practitioners), is a field that can be said to be both old and young. It is old in the sense that its foundation was laid with the development of quantum mechanics in the early part of the twentieth century.

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download

It is young, however, insofar as arguably no technology in human history has developed at the pace that digital computers have over the last 35 years or so. The digital computer being the ‘instrument’ of the computational chemist, workers in the field have taken advantage of this progress to develop and apply new theoretical methodologies at a similarly astonishing pace. The evidence of this progress and its impact on Chemistry in general can be assessed in various ways.

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download

Boyd and Lipkowitz, in their book series Reviewsin Computational Chemistry, have periodically examined such quantifiable indicators as numbers of computational papers published, citations to computational chemistry software packages, and citation rankings of computational chemists. While such metrics need not necessarily be correlated with ‘importance’, the exponential growth rates they document are noteworthy. My own personal (and somewhat more whimsical) metric is the staggering increase in the percentage of exposition floor space occupied by computational chemistry software vendors at various chemistry meetings worldwide – someone must be buying those products!.

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download

Essentials of Computational Chemistry Theories and Models second edition by Christopher J. Cramer pdf download


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