Die Baeyersche Spannungstheorie und die Struktur des Diamanten

Mohr, Ernst

doi:10.1002/prac.19180980123

Cited by 108 publications

(23 citation statements)

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“…If there are more than two bonds that qualify by rule 2, those that generate the fewest new rings are given priority. 4. Bonds at heteroatoms are strategic.…”

Section: Strategic Bonds and Substructures Relevant For Synthesesmentioning

confidence: 98%

Computer‐Assisted Solution of Chemical Problems—The Historical Development and the Present State of the Art of a New Discipline of Chemistry

Ugi

Bauer

Bley

et al. 1993

Angew. Chem. Int. Ed. Engl.

110

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The topic of this article is the development and the present state of the art of computer chemistry, the computer-assisted solution of chemical problems. Initially the problems in computer chemistry were confined to structure elucidation on the basis of spectroscopic data, then programs for synthesis design based on libraries of reaction data for relatively narrow classes of target compounds were developed, and now computer programs for the solution of a great variety of chemical problems are available or are under development. Previously it was an achievement when any solution of a chemical problem could be generated by computer assistance. Today, the main task is the efficient, transparent, and non-arbitrary selection of meaningful results from the immense set of potential solutions--that also may contain innovative proposals. Chemistry has two aspects, constitutional chemistry and stereochemistry, which are interrelated, but still require different approaches. As a result, about twenty years ago, an algebraic model of the logical structure of chemistry was presented that consisted of two parts: the constitution-oriented algebra of be-and r-matrices, and the theory of the stereochemistry of the chemical identity group. New chemical definitions, concepts, and perspectives are characteristic of this logic-oriented model, as well as the direct mathematical representation of chemical processes. This model enables the implementation of formal reaction generators that can produce conceivable solutions to chemical problems--including unprecedented solutions -without detailed empirical chemical information. New formal selection procedures for computer-generated chemical information are also possible through the above model. It is expedient to combine these with interactive methods of selection. In this review, the Munich project is presented and discussed in detail. It encompasses the further development and implementation of the mathematical model of the logical structure of chemistry as well as the experimental verification of the computer-generated results. The article concludes with a review of new reactions, reagents, and reaction mechanisms that have been found with the PC-programs IGOR and RAIN.

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“…If there are more than two bonds that qualify by rule 2, those that generate the fewest new rings are given priority. 4. Bonds at heteroatoms are strategic.…”

Section: Strategic Bonds and Substructures Relevant For Synthesesmentioning

confidence: 98%

Computer‐Assisted Solution of Chemical Problems—The Historical Development and the Present State of the Art of a New Discipline of Chemistry

Ugi

Bauer

Bley

et al. 1993

Angew. Chem. Int. Ed. Engl.

110

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“…J. Org and Ernst Mohr's [38] ideas about the non-planarity of the cyclohexane ring. Just as Emil Fischer had used the strainfree tetrahedron as a building block for strain-free aldohexoses and observed agreement between the experimentally obtained and theoretically expected number of stereoisomers, Windaus anticipated two non-strained stereoisomers with the constitution of decalin (Scheme 6).…”

mentioning

confidence: 99%

Hans Herloff Inhoffen in His Times (1906−1992)

Quinkert

2004

Eur J Org Chem

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“…Sachse reported that two nonplanar models of cyclohexane-conformations as they were called later-do not require bending of the tetrahedral angle,[671 a discovery which was exploited and extended to larger rings by E. Mohr. 1681 In 1905 bending at all; on the other hand, the deflection of the bond angles in smaller and larger rings-assumed to be Among the chemists to whom Baeyer introduced scientific thinking and the art of experimentation were: G. uon Briining, W . Dieckmann, C. Duisberg, E. Fischer, 0.…”

mentioning

confidence: 99%