-
1
-
-
0002099694
-
-
Rothgery, E. F.; Audetter, D, E.; Wedlich, R. C.; Csejka, D. A. Thermochim, Acta 1991, 185, 235.
-
(1991)
Thermochim, Acta
, vol.185
, pp. 235
-
-
Rothgery, E.F.1
Audetter, D.E.2
Wedlich, R.C.3
Csejka, D.A.4
-
2
-
-
0000083504
-
-
Menapace, J. A.; Marlin, J. E.; Bruss, D. R.; Dascher, R. V. J. Phys. Chem. 1991, 95, 5509.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5509
-
-
Menapace, J.A.1
Marlin, J.E.2
Bruss, D.R.3
Dascher, R.V.4
-
3
-
-
0002164833
-
-
Ostmark, H.; Bergman, H.; G., Åqvist, A. Langlet, and B. Persson, Proc. Int. Pyrotech. Semin. 1991, 16, 874.
-
(1991)
Proc. Int. Pyrotech. Semin.
, vol.16
, pp. 874
-
-
Ostmark, H.1
Bergman, H.2
Åqvist, G.3
Langlet, A.4
Persson, B.5
-
4
-
-
0000721798
-
-
Prabhakaran, K. V.; Naidu, S. R.; Kurian, E. M. Thermochim. Acta 1994, 241, 199.
-
(1994)
Thermochim. Acta
, vol.241
, pp. 199
-
-
Prabhakaran, K.V.1
Naidu, S.R.2
Kurian, E.M.3
-
5
-
-
44949283030
-
-
Yi, X.; Hu, R.; Wang, X.; Fu, X.; Zhu, C. Thermochim. Acta 1991, 189, 283.
-
(1991)
Thermochim. Acta
, vol.189
, pp. 283
-
-
Yi, X.1
Hu, R.2
Wang, X.3
Fu, X.4
Zhu, C.5
-
6
-
-
0000235185
-
-
Oxley, J. C.; Smith, J. L.; Zhou, Z. J. Phys. Chem. 1995, 99, 10383.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 10383
-
-
Oxley, J.C.1
Smith, J.L.2
Zhou, Z.3
-
7
-
-
0000343788
-
-
Brill, R. B.; Gongwer, P. E.; Williams, G. K. J. Phys. Chem. 1994, 98, 12242.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 12242
-
-
Brill, R.B.1
Gongwer, P.E.2
Williams, G.K.3
-
8
-
-
0344823216
-
-
Botcher, T. R.; Beardall, D. J.: Wight, C. A.; Fan, L.; Burkey, T. J. J. Phys. Chem. 1996, 100, 8802.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 8802
-
-
Botcher, T.R.1
Beardall, D.J.2
Wight, C.A.3
Fan, L.4
Burkey, T.J.5
-
9
-
-
0030608301
-
-
Sorescu, D. C.; Sutton, T. R. L.; Thompson, D. L.; Beardall, D.; A., C. Wight, J. Mol. Struct. 1996, 384, 87.
-
(1996)
J. Mol. Struct.
, vol.384
, pp. 87
-
-
Sorescu, D.C.1
Sutton, T.R.L.2
Thompson, D.L.3
Beardall, D.4
Wight, A.C.5
-
10
-
-
6944251055
-
-
Moller, C. M. S. Phys. Rev. 1934, 46, 618. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213. Gordon, M. S. Chem. Phys. Lett. 1980, 76, 163.
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Moller, C.M.S.1
-
11
-
-
0347170005
-
-
Moller, C. M. S. Phys. Rev. 1934, 46, 618. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213. Gordon, M. S. Chem. Phys. Lett. 1980, 76, 163.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
12
-
-
33748545144
-
-
Moller, C. M. S. Phys. Rev. 1934, 46, 618. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213. Gordon, M. S. Chem. Phys. Lett. 1980, 76, 163.
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213
-
-
Hariharan, P.C.1
Pople, J.A.2
-
13
-
-
85022583881
-
-
Moller, C. M. S. Phys. Rev. 1934, 46, 618. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213. Gordon, M. S. Chem. Phys. Lett. 1980, 76, 163.
-
(1980)
Chem. Phys. Lett.
, vol.76
, pp. 163
-
-
Gordon, M.S.1
-
15
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B41, 785.
-
(1988)
Phys. Rev.
, vol.B41
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
16
-
-
2442617487
-
-
Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
17
-
-
0000649832
-
-
Krishnan, R.; Frisch, M. J.; Pople, J. A. J. Chem. Phys. 1980, 72, 4244.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4244
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
-
18
-
-
0027313878
-
-
Lienbenberg, D. H.; Armstrong, R. W.; Gilman, J. J. Eds.; Materials Research Society: Pittsburgh, PA
-
Lee, K.-Y.; Gilardi, R.; In Structure and Properties of Energetic Materials; Lienbenberg, D. H.; Armstrong, R. W.; Gilman, J. J. Eds.; Materials Research Society: Pittsburgh, PA, 1993); Vol. 296, p 237.
-
(1993)
Structure and Properties of Energetic Materials
, vol.296
, pp. 237
-
-
Lee, K.-Y.1
Gilardi, R.2
-
19
-
-
0030737066
-
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J. Phys. Chem. 1997, 101, 798.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 798
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
22
-
-
84988053694
-
-
Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
23
-
-
5544226100
-
-
Nemethy, G.; Gibson, K. D.; Palmer, K. A.; Yoon, C. N.; Paterlini, G.; S., Rumsey, and H. A. Scheraga, J. Phys. Chem. 1972, 96, 6474.
-
(1972)
J. Phys. Chem.
, vol.96
, pp. 6474
-
-
Nemethy, G.1
Gibson, K.D.2
Palmer, K.A.3
Yoon, C.N.4
Paterlini, G.5
Rumsey, S.6
Scheraga, H.A.7
-
24
-
-
9144240095
-
-
Mayo, S. L.; Olafson, B. D.; Goddard, W. A., III. J. Phys. Chem. 1990, 94, 8897.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8897
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard III, W.A.3
-
28
-
-
6344256147
-
-
(a) Hagler, A. T.; Lifson, S.; Dauber, P. J. Am. Chem. Soc. 1979, 101, 5122.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5122
-
-
Hagler, A.T.1
Lifson, S.2
Dauber, P.3
-
29
-
-
33845560932
-
-
(b) Hagler, A. T.; Dauber, P.; Lifson, S. J. Am. Chem. Soc. 1979, 101, 5131.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5131
-
-
Hagler, A.T.1
Dauber, P.2
Lifson, S.3
-
37
-
-
0029769408
-
-
Politzer, P.; Murray, J. S.; Grice, M. E. Mater. Res. Soc. Symp. 1996, 418, 55.
-
(1996)
Mater. Res. Soc. Symp.
, vol.418
, pp. 55
-
-
Politzer, P.1
Murray, J.S.2
Grice, M.E.3
-
38
-
-
0001582121
-
-
Finch, A.; Gardner, P. J.; Head, A. J.; Majdi, H. S. J. Chem. Thermodyn. 1991, 23, 1169.
-
(1991)
J. Chem. Thermodyn.
, vol.23
, pp. 1169
-
-
Finch, A.1
Gardner, P.J.2
Head, A.J.3
Majdi, H.S.4
-
39
-
-
34250727254
-
-
and references therein
-
See, for example, See, for example, Wiberg, K. B.; Rablen, P. R. J. Comput. Chem. 1993, 14, 1504, and references therein.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1504
-
-
Wiberg, K.B.1
Rablen, P.R.2
-
41
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Patersson,G. A.; Montgomery, J. A.; Raghavachari, K.; AL-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanyakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision C.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Patersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanyakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
-
42
-
-
0347170005
-
-
(a) Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
43
-
-
33645949559
-
-
(b) Frankl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654
-
-
Frankl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
DeFrees, D.J.6
Pople, J.A.7
|