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Pure Appl. Chem., 1989, Vol. 61, No. 3, pp. 593-596

http://dx.doi.org/10.1351/pac198961030593

Computer simulation studies of spherands, crowns and porphyrins: application of computer graphics, distance geometry, molecular mechanics and molecular dynamics approaches

P. A. Kollman, P. D. J. Grootenhuis and M. A. Lopez

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