-
1
-
-
0004133516
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; et al. Gaussian 92; Gaussian Inc.: Pittsburgh, PA, 1992.
-
(1992)
Gaussian 92
-
-
Frisch, M.J.1
-
2
-
-
33744575708
-
-
Biograf/Polygraf from Molecular Simulations Inc., San Diego, CA
-
Biograf/Polygraf from Molecular Simulations Inc., San Diego, CA.
-
-
-
-
5
-
-
33744680810
-
-
note
-
It would probably exhibit a cyclic structure with two hydrogen bonds like the formamide-water and formamide-methanol complexes. For the nylons of interest to this study, the orientation of the two formamide dimers, Figure 2, is different than would be present in the cyclic dimer.
-
-
-
-
6
-
-
36549092943
-
-
Lovas, F. J.; Suenram, R. D.; Fraser, G. T.; Gillies, C. W.; Zozom, J. J. Chem. Phys. 1988, 88, 722.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 722
-
-
Lovas, F.J.1
Suenram, R.D.2
Fraser, G.T.3
Gillies, C.W.4
Zozom, J.5
-
8
-
-
11644291455
-
-
Frey, R. F.; Coffin, J.; Newton, S. Q.; Ramek, M.; Cheng, V. K. W.; Momany, F. A.; Schaefer, L. J. Am. Chem. Soc. 1992, 114, 5369-5377.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 5369-5377
-
-
Frey, R.F.1
Coffin, J.2
Newton, S.Q.3
Ramek, M.4
Cheng, V.K.W.5
Momany, F.A.6
Schaefer, L.7
-
9
-
-
33847457168
-
-
Schaefer, F., Ed.; Plenum Press: New York, Chapter 3.
-
Kollman, P. A. In Methods of Electronic Structure Theory, Schaefer, F., Ed.; Plenum Press: New York, 1977; Vol. 2, Chapter 3.
-
(1977)
Methods of Electronic Structure Theory
, vol.2
-
-
Kollman, P.A.1
-
12
-
-
3042524904
-
-
Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. J. Phys. Chem. 1993, 97, 10269. It is difficult to compare results on the quality of the fits to the H bond potentials since the data presented are only at the minimum in the potential and not over the full range of H-bonding interactions. Note that there is an inaccuracy in the citation (h) of the molecular mechanics data in Table 16 of ref 10. The correct reference for this is ref 48 in this paper and ref 32 in their paper.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
13
-
-
0037554262
-
-
Damewood, J. R.; Jr.; Kumpf, R. A.; Muhlbauer, W. C. F.; Urban, J. J.; Eksterowicz, J. E. Phys. Chem. 1990, 94, 6619.
-
(1990)
Phys. Chem.
, vol.94
, pp. 6619
-
-
Damewood Jr.1
, J.R.2
Kumpf, R.A.3
Muhlbauer, W.C.F.4
Urban, J.J.5
Eksterowicz, J.E.6
-
17
-
-
0001185199
-
-
Dasgupta, S.; Yamasaki, T.; Goddard, W. A., III. J. Phys. Chem. 1996, 104. 2898.
-
(1996)
J. Phys. Chem.
, vol.104
, pp. 2898
-
-
Dasgupta, S.1
Yamasaki, T.2
Goddard III, W.A.3
-
18
-
-
0005338495
-
-
(a) Karasawa, N.; Dasgupta, S.; Goddard, W. A., III. J. Phys. Chem. 1991, 95, 2260.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 2260
-
-
Karasawa, N.1
Dasgupta, S.2
Goddard III, W.A.3
-
19
-
-
0029638671
-
-
(b) Musgrave, C. B.; Dasgupta, S.; Goddard, W. A., III. J. Phys. Chem. 1995, 99, 13321.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 13321
-
-
Musgrave, C.B.1
Dasgupta, S.2
Goddard III, W.A.3
-
22
-
-
0003479666
-
-
Sugawara, Y.; Hirakawa, A.; Tsuboi, M. J. Mol. Spectrosc. 1984, 108, 206.
-
(1984)
J. Mol. Spectrosc.
, vol.108
, pp. 206
-
-
Sugawara, Y.1
Hirakawa, A.2
Tsuboi, M.3
-
27
-
-
0005338495
-
-
Karasawa, N.; Dasgupta, S.; Goddard, W. A., III. J. Phy. Chem. 1990, 95, 2260.
-
(1990)
J. Phy. Chem.
, vol.95
, pp. 2260
-
-
Karasawa, N.1
Dasgupta, S.2
Goddard III, W.A.3
-
28
-
-
0004227799
-
-
Wiley-Interscience, John Wiley and Sons: New York
-
Kohan, M. I. Nylon Plastics; Wiley-Interscience, John Wiley and Sons: New York, 1973.
-
(1973)
Nylon Plastics
-
-
Kohan, M.I.1
-
29
-
-
33847448152
-
-
note
-
In the a phase, the sheets are easy to define since the methylene spacers are nearly coplanar with the amides, which are H-bonded to amides from the adjacent chains. In the γ phase the methylene spacers are twisted with respect to the amide planes; thus, we refer to the methylene planes as the sheets and consider the amides as H-bonded to chains in adjacent sheets rather than within the same sheet.
-
-
-
-
30
-
-
0015385077
-
-
Kyotani, M.; Mitsuhashi, S. J. Polym. Sci., A-2 1972, 10, 1497.
-
(1972)
J. Polym. Sci., A-2
, vol.10
, pp. 1497
-
-
Kyotani, M.1
Mitsuhashi, S.2
-
33
-
-
0000554753
-
-
Fredericks, R. J.; Doyne, T. H.; Sprague, R. S. J. Polym. Sci., A-2 1966, 4, 899, 913.
-
(1966)
Polym. Sci., A-2
, vol.4
, pp. 899
-
-
Fredericks, R.J.1
Doyne, T.H.2
Sprague, R.S.J.3
-
34
-
-
0001227389
-
-
Holmes, D. R.; Bunn, C. W.; Smith, D. J. J. Polym. Sci. 1955, 17, 159.
-
(1955)
J. Polym. Sci.
, vol.17
, pp. 159
-
-
Holmes, D.R.1
Bunn, C.W.2
Smith, D.J.3
-
35
-
-
0011088545
-
-
Simon, P.; Argay, Gy. J. Polym. Sci., Polym. Phys. Ed. 1978, 16, 935.
-
(1978)
J. Polym. Sci., Polym. Phys. Ed.
, vol.16
, pp. 935
-
-
Simon, P.1
Argay, Gy.2
-
36
-
-
0000815942
-
-
Malta, V.; Cojazzi, G.; Fichera, A.; Ajo, D.; Zanetti, R. Eur. Polym. J. 1979, 75, 765.
-
(1979)
Eur. Polym. J.
, vol.75
, pp. 765
-
-
Malta, V.1
Cojazzi, G.2
Fichera, A.3
Ajo, D.4
Zanetti, R.5
-
42
-
-
0014928209
-
-
Sakurada, I.; Kaji, K. J. Polym. Sci., C 1970, 31, 57,
-
(1970)
J. Polym. Sci., C
, vol.31
, pp. 57
-
-
Sakurada, I.1
Kaji, K.2
-
43
-
-
0017465954
-
-
Rabolt, J. F.; Fanconi, B. J. Polym. Sci., Polym. Lett. Ed. 1977, 75, 121.
-
(1977)
J. Polym. Sci., Polym. Lett. Ed.
, vol.75
, pp. 121
-
-
Rabolt, J.F.1
Fanconi, B.2
-
46
-
-
0022076999
-
-
Fanconi, B.; Rabolt, J. F. J. Polym. Sci., Polym. Phys. Ed. 1985, 23, 1201.
-
(1985)
J. Polym. Sci., Polym. Phys. Ed.
, vol.23
, pp. 1201
-
-
Fanconi, B.1
Rabolt, J.F.2
-
47
-
-
84916134814
-
-
Cojazzi, G.; Fichera, A.; Malta, V.; Zannetti, R. Makromol. Chem. 1978, 179, 509.
-
(1978)
Makromol. Chem.
, vol.179
, pp. 509
-
-
Cojazzi, G.1
Fichera, A.2
Malta, V.3
Zannetti, R.4
-
48
-
-
0000598749
-
-
Wang, Y.; Purrello, R.; Jordan, T.; Spiro, T. G. J. Am. Chem. Soc. 1991, 113, 6359.
-
(1991)
Am. Chem. Soc.
, vol.113
, pp. 6359
-
-
Wang, Y.1
Purrello, R.2
Jordan, T.3
Spiro, T.G.J.4
-
53
-
-
84944179254
-
-
Harmony, M. D.; Laurie, V. W.; Kuczkowski, R. L.; Schwendeman, R. H.; Ramsey, D. A.; Lovas, F. J.; Lafferty, W. J.; Maki, A. G. J. Phys. Chem. Ref. Data 1979, 8, 619.
-
(1979)
J. Phys. Chem. Ref. Data
, vol.8
, pp. 619
-
-
Harmony, M.D.1
Laurie, V.W.2
Kuczkowski, R.L.3
Schwendeman, R.H.4
Ramsey, D.A.5
Lovas, F.J.6
Lafferty, W.J.7
Maki, A.G.8
-
55
-
-
33847466492
-
-
Hasegawa, R. K.; Kimoto, K.; Chatani, Y.; Tadokoro, H.; Sekiguchi, H. Discussion Meeting of the Society of Polymer Science, Japan, Tokyo, Preprint 713, 1974.
-
(1974)
Discussion Meeting of the Society of Polymer Science, Japan, Tokyo, Preprint 713
-
-
Hasegawa, R.K.1
Kimoto, K.2
Chatani, Y.3
Tadokoro, H.4
Sekiguchi, H.5
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