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Empirical force field calculations. 10. Conformational analysis of cis-decalin

Cite this: J. Am. Chem. Soc. 1981, 103, 17, 5014–5021
Publication Date (Print):August 1, 1981
https://doi.org/10.1021/ja00407a007
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  2. Roger W. Alder, Craig P. Butts, Richard B. Sessions. Perhydrohelicenes and other diamond-lattice based hydrocarbons: the choreography of inversion. Chemical Science 2017, 8 (9) , 6389-6399. https://doi.org/10.1039/C7SC01759F
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  4. M. Paluch, S. Pawlus, S. Hensel-Bielowka, E. Kaminska, D. Prevosto, S. Capaccioli, P. A. Rolla, K. L. Ngai. Two secondary modes in decahydroisoquinoline: Which one is the true Johari Goldstein process?. The Journal of Chemical Physics 2005, 122 (23) , 234506. https://doi.org/10.1063/1.1931669
  5. Larisa Golender, Hanoch Senderowitz, Benzion Fuchs. Relative stabilities and conformational ring inversion potentials in heterocyclic decalin systems and stereoelectronic implications. Journal of Molecular Structure: THEOCHEM 1996, 370 (2-3) , 221-236. https://doi.org/10.1016/S0166-1280(96)04704-5
  6. Z. Slanina. Chemical isomerism and theoretical evaluation of thermodynamic and kinetic properties of compounds. Research on Chemical Intermediates 1990, 14 (1) , 47-100. https://doi.org/10.1163/156856790X00148
  7. A. J. Hoefnagel, B. M. Wepster. Substituent effects. 13. Anomalous dissociation constants in water-organic solvent mixtures: Alicyclic and aliphatic carboxylic acids. Recueil des Travaux Chimiques des Pays-Bas 1990, 109 (9) , 455-462. https://doi.org/10.1002/recl.19901090902
  8. D. T. Avdeev, V. A. Schegolev, A. V. Ivanov. Some regularities of rotation isomerism in rearrangement of a cis-decalin molecule. Journal of Structural Chemistry 1990, 31 (1) , 162-164. https://doi.org/10.1007/BF00752031
  9. F. Krech, K. Issleib, A. Zschunke, H. Meyer. Cis- und trans-1-Phosphabicyclo[4.4.0]decan. Zeitschrift f�r anorganische und allgemeine Chemie 1987, 553 (10) , 136-146. https://doi.org/10.1002/zaac.19875531016
  10. B. van de Graaf, J. M. A. Baas. The Lagrange multiplier method for manipulating geometries. Implementation and applications in molecular mechanics. Journal of Computational Chemistry 1984, 5 (4) , 314-321. https://doi.org/10.1002/jcc.540050406
  11. P. Vanhee, D. Tavernier. A Perturbational Force Field Calculation Explains the Increased Conformational Inversion Barrier of 1α,4α-Dihydroxy-cis-1,2,3,4,4a,5,8,8a-Octahydronaphthalene. Bulletin des Sociétés Chimiques Belges 1983, 92 (9) , 767-772. https://doi.org/10.1002/bscb.19830920902
  12. D. Tavernier, J. M. A. Baas, B. van de Graa, P. Vanhee. Empirical force field calculations XXI. The ring inversion of cis-transoid-cis-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene. Recueil des Travaux Chimiques des Pays-Bas 1983, 102 (7-8) , 352-355. https://doi.org/10.1002/recl.19831020703
  13. Masao Nakazaki, Hiroaki Chikamatsu, Masatoshi Taniguchi. HORSE LIVER ALCOHOL DEHYDROGENASE (HLADH) MEDIATED CHEMICOENZYMATIC ASYMMETRIC SYNTHESIS OF (+)-TWISTANE FROM cis -DECALIN-2,7-DIONE. Chemistry Letters 1982, 11 (11) , 1761-1764. https://doi.org/10.1246/cl.1982.1761
  14. Rudolf O. Duthaler, Peter Maienfisch. Synthesis of optically pure compounds by enantiotopically differentiating monoacetalization of prochiral diketones. Helvetica Chimica Acta 1982, 65 (3) , 635-653. https://doi.org/10.1002/hlca.19820650303
  15. D. Tavernier, M. J. O. Anteunis. Stereochemical aspects of proton chemical shifts. X—The slow exchange1H NMR spectrum ofcis-transoid-cis-perhydroanthracene and ofcis-decalin. Organic Magnetic Resonance 1982, 18 (2) , 109-111. https://doi.org/10.1002/mrc.1270180213
  16. P. Vanhee, B. van de Graaf, J.M.A. Baas, D. Tavernier. The inversion of cis-transoid-cis- and cis-cisoid-cis-perhydroanthracene. Tetrahedron Letters 1982, 23 (37) , 3837-3838. https://doi.org/10.1016/S0040-4039(00)87721-7
  17. J. M. A. BAAS, B. VAN DE GRAAF, D. TAVERNIER, P. VANHEE. ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS. 10. CONFORMATIONAL ANALYSIS OF CIS-DECALIN. Chemischer Informationsdienst 1981, 12 (49) https://doi.org/10.1002/chin.198149064

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