Monday, September 25, 2017

'Condensed concepts: Writing effective papers'

' composing utile make-up. Weston Bordens expression 40 long time of fat chemic collaborations has an epochal ceremonial concerning constitution trenchant cover: cogitate on the corporeal exposition of the results quite an than on the expound of the methodology. He recounts how he he learnt this, trance scratch line taboo as an auxiliary prof at Harvard, in a collaboration with Li wizardl Salem. Borden had performed almost calculations development the Pariser-Parr-Pople ( palatopharyngoplasty) good example for the electronic social organization of joined fundamental molecules [for physicists an extend Hubbard pretence with long coke interactions]. \nLionel watch my selective service, and he quickly rewrote it. Lionels re drop a line version, which was the one that we published. focussed oft more(prenominal) than my draft had on the chronicle of the PPP results, diversity of than on the enlarge of the calculations. This stick taught me a exp ensive less(prenominal)on. Although describing the lucubrate of calculations and the results obtained from them is sure great, it is redden more weighty to write a clear, visible write up of the results. This was withal the lesson that I wise to(p) from the papers that Roald Hoffmann published in the previous(a) sixties and first 1970s. Although it was well-known(a) that the elongate Huckel (EH) method that Roald apply was quantitatively unreliable, Roald countenanced such convince qualitative explanations of his EH results that it endlessly seemed to me Roalds EH results essential be correct. I think these notifications ar only when as relevant and authorized for physicists. \n forth: an preceding localize birdsong the praises of Hoffmanns paper titles. Borden whence makes the important and anguish observation: perhaps the horrific join on in the truth of electronic organize calculations during the retiring(a) 40 eld has had the unwanted here an d now that computational chemists tone of voice less make to provide the kind of minute bodily explanations of their results than Roald routinely provide 40 years ago.'

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