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Previous paper in this series: Lii, J.-H.; Chen, K.-H.; Allinger, N. L. J. Comput. Chem. 2003, 24, 1504.
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(2003)
J. Comput. Chem.
, vol.24
, pp. 1504
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Lii, J.-H.1
Chen, K.-H.2
Allinger, N.L.3
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4
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0009625139
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(a) Wolfe, S.; Schlegel, H. B.; Wangbo, M.-H.; Bernardi, F. Can. J. Chem. 1974, 52, 3787.
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(1974)
Can. J. Chem.
, vol.52
, pp. 3787
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Wolfe, S.1
Schlegel, H.B.2
Wangbo, M.-H.3
Bernardi, F.4
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5
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2342634541
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(b) Schlegel, H. B.; Wolfe, S.; Bemardi, F. J. Chem. Phys. 1977, 67, 418.
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(1977)
J. Chem. Phys.
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, pp. 418
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Schlegel, H.B.1
Wolfe, S.2
Bemardi, F.3
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6
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0000566611
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Thomas, H. D.; Chen, K.; Allinger, N. L. J. Am. Chem. Soc. 1994, 116, 5887.
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(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5887
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Thomas, H.D.1
Chen, K.2
Allinger, N.L.3
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7
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2342462339
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Chen, K.-H.; Lii, J.-H.; Fan, Y.; Allinger, N. L. To be published
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Chen, K.-H.; Lii, J.-H.; Fan, Y.; Allinger, N. L. To be published.
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8
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2342612952
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note
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It is intended to make the MM4 program available shortly. The UNIX and LINUX versions will be available from Tripos, Inc. (1699 South Hanley Road, St. Louis, MO 63144), and a Windows version will be available from Wavefunction (18401 Von Karmen, Suite 370, Irvine, CA 92715). Interested persons should contact the appropriate distributor directly,
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9
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5244299085
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(b) Allinger, N. L.; Chen, K.; Lii, J.-H. J. Comput. Chem. 1996, 17, 642.
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(1996)
J. Comput. Chem.
, vol.17
, pp. 642
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Allinger, N.L.1
Chen, K.2
Lii, J.-H.3
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10
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0000304457
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(c) Nevins, N.; Chen, K.; Allinger, N. L. J. Comput. Chem. 1996, 17, 669.
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(1996)
J. Comput. Chem.
, vol.17
, pp. 669
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Nevins, N.1
Chen, K.2
Allinger, N.L.3
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11
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5244324671
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(d) Nevins, N.; Lii, J.-H.; Allinger, N. L. J. Comput. Chem. 1996, 17, 695.
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(1996)
J. Comput. Chem.
, vol.17
, pp. 695
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Nevins, N.1
Lii, J.-H.2
Allinger, N.L.3
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13
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0000414868
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(f) Allinger, N. L.; Chen, K.; Katzenellenbogen, J. A.; Wilson, S. R.; Anstead, G. M. J. Comput. Chem. 1996, 17, 747.
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(1996)
J. Comput. Chem.
, vol.17
, pp. 747
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Allinger, N.L.1
Chen, K.2
Katzenellenbogen, J.A.3
Wilson, S.R.4
Anstead, G.M.5
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14
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0024821263
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(g) Allinger, N. L.; Yuh, Y. H.; Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 8551.
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(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8551
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Allinger, N.L.1
Yuh, Y.H.2
Lii, J.-H.3
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18
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0001691884
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Baker, J.; Pulay, P. J. Comput. Chem. 1998, 19, 1187. The general scaling factors reported in this paper (ref 8) were used to scale the Hessian matrix (actually, the square roots of the numbers given in Table 2 in ref 8), where the same numbers are used for oxygen as are given for fluorine. The ref 9 given in ref 8 was unpublished when our calculations were carried out, but Professor Pulay confirmed to us (personal communication) that this was the proper procedure.
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(1998)
J. Comput. Chem.
, vol.19
, pp. 1187
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Baker, J.1
Pulay, P.2
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19
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2342460387
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note
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Parametrization of Molecular Mechanics (MM4) for Large Biological Systems: Small Peptides-Emphasis on Protein Modeling Alkylphosphines-Emphasis on DNA Structure, by Patricia Metthe Todebush, a dissertation submitted to the Graduate Faculty of the University of Georgia in partial fulfillment of the requirements for the degree Doctor of Philosophy, Athens, GA, December 7, 2000.
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(a) Allinger, N. L.; Chen, K.-H.; Lii, J.-H.; Durkin, K. A. J. Comput. Chem. 2003, 24, 1447.
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(2003)
J. Comput. Chem.
, vol.24
, pp. 1447
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Allinger, N.L.1
Chen, K.-H.2
Lii, J.-H.3
Durkin, K.A.4
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0041352870
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(b) Lii, J.-H.; Chen, K.-H.; Durkin, K. A.; Allinger, N. L. J. Comput. Chem. 2003, 24, 1473.
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(2003)
J. Comput. Chem.
, vol.24
, pp. 1473
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Lii, J.-H.1
Chen, K.-H.2
Durkin, K.A.3
Allinger, N.L.4
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24
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0041853579
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(c) Lii, J.-H.; Chen, K.-H.; Grindley, T. B.; Allinger, N. L. J. Comput. Chem. 2003, 24, 1490.
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(2003)
J. Comput. Chem.
, vol.24
, pp. 1490
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Lii, J.-H.1
Chen, K.-H.2
Grindley, T.B.3
Allinger, N.L.4
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0001737663
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Allinger, N. L.; Fermann, J. T.; Allen, W. D.; Schaefer, H. F., III. J. Chem. Phys. 1997, 106, 5143.
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(1997)
J. Chem. Phys.
, vol.106
, pp. 5143
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Allinger, N.L.1
Fermann, J.T.2
Allen, W.D.3
Schaefer III, H.F.4
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Lii, J.-H.; Chen, K.-H.; French, A.; Johnson, G. P.; Allinger, N. L. In preparation
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Lii, J.-H.; Chen, K.-H.; French, A.; Johnson, G. P.; Allinger, N. L. In preparation.
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