Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Joseph T. Sprague"'
Publikováno v:
Journal of Computational Chemistry. 8:581-603
The molecular mechanics (MMP2) program and procedures for the treatment of conjugated hydrocarbons, and some of the results which they can achieve are described. The program is an updated version of the similar MMP1 program, but contains some differe
Publikováno v:
Helvetica Chimica Acta. 60:2522-2529
The isodynamical interconversion between the quasiplanar equilibrium conformers 1b and 1c of 1,5-bisdehydro[12]annulene requires a free energy of activation ΔG# = 4.5 ± 0.2 kcal/mol (120 K) which was determined by line shape analysis of its tempera
Publikováno v:
Journal of the American Chemical Society. 96:5100-5104
Autor:
Norman L. Allinger, Joseph T. Sprague
Publikováno v:
Journal of Computational Chemistry. 1:257-260
Graphite is the limiting case of an infinite aromatic hydrocarbon, and as such is an important benchmark in force-field calculations. Using experimentally determined physical properties for graphite, a force-field parameter set was developed for mole
Publikováno v:
Journal of Computational Chemistry. 1:30-35
A number of cyclobutane derivatives containing one or more double bonds in endo- or exocyclic positions have been studied by the molecular mechanics method within the context of the MM2 force field. Generally speaking, the structures and energies of
Autor:
Joseph T. Sprague, Norman L. Allinger
Publikováno v:
Journal of the American Chemical Society. 94:5734-5747
Autor:
Joseph T. Sprague, Norman L. Allinger
Publikováno v:
Journal of the American Chemical Society. 95:3893-3907
Publikováno v:
Chemischer Informationsdienst. 9
Publikováno v:
Chemischer Informationsdienst. 5
Autor:
Joseph T. Sprague, Norman L. Allinger
Publikováno v:
Chemischer Informationsdienst. 3