Historical development of computational

Einally, we draw attention to several review articles in this area. In 1986 Lowdin 23 considered various aspects of the historical development of computational QC in view of the development of both conventional supercomputers and large-scale parallel computers. More recently, Weineri24 presented a discussion on the programming of parallel computers and their use in molecular dynamics simulations, free energy perturbation, and large scale ab initio calculations, as well as the use of very elaborate graphical display programs in chemistry research. We also note a review on the use of parallel processors in... 

Finally, in Chapter 8, Professors Jean-Louis Rivail and Bernard Maigret provide an essay on the historical development of computational chemistry in France. This chapter complements essays on the history in the United States (Volume 5) and in the United Kingdom (Volume 10). France was one of the first epicenters in developing and applying quantum chemical methods to biomolecules, and Chapter 8 gives some of these highlights as well as other important contributions to the field. 

The possible structure of HCo(CO)3 catalyst [52] has been discussed controversially in the literature, and this controversy has also reflected the historical development of computational chemistry, as summarized in the review paper by Frenking et al. [11]. The previous discussions were performed mainly on four possible structures, as shown in Scheme 1. 

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