A force field for allenes and for nonlinear acetylenes within the MM2 approximation
- 1 December 1987
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 8 (8) , 1225-1231
- https://doi.org/10.1002/jcc.540080818
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- Thermochemical Data of Pure SubstancesPublished by Wiley ,1995
- Cyclooctyne — a sterically strained molecule with an unusual CC triple bond geometryJournal of Molecular Structure, 1985
- The molecular structure and conformation of 1,2-cyclononadieneJournal of Molecular Structure, 1981
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977
- Dynamics of cyclic allenes. Conformational properties of 1,2-cyclononadiene, 1,2,6-cyclononatriene, and 1,2,6,7-cyclodecatetraene. Dynamic nuclear magnetic resonance spectroscopy and iterative force-field calculationsJournal of the American Chemical Society, 1977
- Rotationsbarriere in 1,2‐Dienen; Resonanzenergie des Allyl‐RadikalsEuropean Journal of Inorganic Chemistry, 1974
- Microwave spectrum and internal rotation of dimethylalleneJournal of Molecular Spectroscopy, 1971
- Microwave Spectra of Molecules Exhibiting Internal Rotation. II. MethylalleneThe Journal of Chemical Physics, 1957
- Force Constants and Frequency Assignments for Some Substituted MethylacetylenesThe Journal of Chemical Physics, 1948