Conformational Dynamics of 9,9‐Dimethyl‐1,5‐Dihetero‐Spiro [5.5] Undecanes by Molecular Mechanics Calculations: A Three‐Dimensional Topological Approach | Zendy

Iratçabal P. | Zendy; Liotard D. | Zendy

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Conformational Dynamics of 9,9‐Dimethyl‐1,5‐Dihetero‐Spiro [5.5] Undecanes by Molecular Mechanics Calculations: A Three‐Dimensional Topological Approach

Author(s) -

Iratçabal P.,

Liotard D.

Publication year - 1986

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.540070411

Subject(s) - molecular mechanics , molecular dynamics , representation (politics) , physics , statistical physics , computational chemistry , topology (electrical circuits) , chemistry , mathematics , combinatorics , politics , political science , law

The dynamic behavior of 9,9‐dimethyl‐1,5‐dihetero‐spiro [5.5] undecanes is investigated by molecular mechanics calculations. A topological approach is taken which leads to a model consistent with the available NMR data. A three‐dimensional representation of the conformational potential energy surface is given.

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