[PDF.30yq] Ab Initio Calculations: Methods and Applications in Chemistry (Lecture Notes in Chemistry)

Ab Initio Calculations: Methods and Applications in Chemistry (Lecture Notes in Chemistry)

[PDF.yb77] Ab Initio Calculations: Methods and Applications in Chemistry (Lecture Notes in Chemistry)

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 | #15410766 in Books |  Springer |  1980-07-18 | Original language:English | PDF # 1 |  9.25 x.59 x6.10l,.81 | File type: PDF | 247 pages

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Until recently quantum chemical ab initio calculations were re­ stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : "Almost all of our ab initio experience derives from diatomic LCAO calculations ••• N and we have found in the litera­ ture "approximately eighty calculations, three-fourths of which are for diatomic molecules ••• There are approximately twenty ab initio calculations for molecules wi...

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