-
1
-
-
0030737066
-
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J. Phys. Chem. B 1997, 101, 798.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 798
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
2
-
-
0032484847
-
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J. Phys. Chem. B 1998, 102, 948.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 948
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
3
-
-
0000611714
-
-
Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J. Phys. Chem. B 1998, 102, 6692.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 6692
-
-
Sorescu, D.C.1
Rice, B.M.2
Thompson, D.L.3
-
4
-
-
85034293259
-
-
Russell, T. P.; Miller, P. J.; Piermarini, G. J.; Block, S.; Gilardi, R.; George, C. AD-CO48 931 (92-0134), p 155, Apr 91, CPIA Abstract No. 92, 0149. ADD604 542. C-D, Chemical Propulsion Information Agency, 10630 Little Patuxent Parkway, Suite 202, Columbia, MD 21044-3200
-
Russell, T. P.; Miller, P. J.; Piermarini, G. J.; Block, S.; Gilardi, R.; George, C. AD-CO48 931 (92-0134), p 155, Apr 91, CPIA Abstract No. 92, 0149. ADD604 542. C-D, Chemical Propulsion Information Agency, 10630 Little Patuxent Parkway, Suite 202, Columbia, MD 21044-3200.
-
-
-
-
7
-
-
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
-
8
-
-
5544226100
-
-
Nemethy, G.; Gibson, K. D.; Palmer, K. A.; Yoon, C. N.; Paterlini, G.; Rumsey, S.; Scheraga, H. A. J. Phys. Chem. 1992, 96, 6474.
-
(1992)
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
-
9
-
-
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
-
10
-
-
0343815838
-
-
Coombes, D. S.; Price, S. L.; Willock, D. J.; Leslie, M. J. Phys. Chem. 1996, 100, 7352.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7352
-
-
Coombes, D.S.1
Price, S.L.2
Willock, D.J.3
Leslie, M.4
-
15
-
-
6944251055
-
-
Möller, C.; Plesset, 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
-
-
Möller, C.1
Plesset, M.S.2
-
16
-
-
0347170005
-
-
Möller, C.; Plesset, 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
-
17
-
-
33748545144
-
-
Möller, C.; Plesset, 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
-
18
-
-
85022583881
-
-
Möller, C.; Plesset, 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
-
20
-
-
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
-
21
-
-
0010922186
-
-
Gaussian, Inc.; Pittsburgh, PA
-
Gaussian 94, Revision C.3: 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, 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..
-
22
-
-
0000206962
-
-
Hohenber, P.; Kohn, W. Phys. Rev. 1964, B126, 864. Parr, R. G.; Yand, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
-
(1964)
Phys. Rev.
, vol.B126
, pp. 864
-
-
Hohenber, P.1
Kohn, W.2
-
26
-
-
0001668995
-
-
Price, S. L.; Andrews, J. S.; Murray, C. W.; Amos, R. D. J. Am. Chem. Soc. 1992, 114, 8268.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8268
-
-
Price, S.L.1
Andrews, J.S.2
Murray, C.W.3
Amos, R.D.4
-
29
-
-
0003937311
-
-
Department of Chemistry, University of Louisville, Louisville, KY 40292
-
Williams, D. E. PCK91, A Crystal Molecular Packing Analysis Program, Department of Chemistry, University of Louisville, Louisville, KY 40292.
-
PCK91, a Crystal Molecular Packing Analysis Program
-
-
Williams, D.E.1
-
33
-
-
11344284526
-
-
Allen, F. H.; Kennard, O.; Watson, D. G.; Brammer, L.; Open, A. G.; Taylor, R. J. Chem. Soc., Perkin Trans. 2 1987, S1-S19.
-
(1987)
J. Chem. Soc., Perkin Trans. 2
-
-
Allen, F.H.1
Kennard, O.2
Watson, D.G.3
Brammer, L.4
Open, A.G.5
Taylor, R.6
-
36
-
-
33751554828
-
-
(b) Archibald, T. G.; Gilardi, R.; Baum, K.; George, C. J. Org. Chem. 1990, 55, 2920.
-
(1990)
J. Org. Chem.
, vol.55
, pp. 2920
-
-
Archibald, T.G.1
Gilardi, R.2
Baum, K.3
George, C.4
-
37
-
-
4243854346
-
-
(c) Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D. Acta Crystallogr. 1991, B47, 782.
-
(1991)
Acta Crystallogr.
, vol.B47
, pp. 782
-
-
Pickering, M.1
Rylance, J.2
Small, R.W.H.3
Stubley, D.4
-
38
-
-
0011113678
-
-
(d) Oyumi, Y.; Brill, T. B.; Rheingold, A. L.; Haller, T. M. J. Phys. Chem. 1985, 89, 4317.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 4317
-
-
Oyumi, Y.1
Brill, T.B.2
Rheingold, A.L.3
Haller, T.M.4
-
39
-
-
0026990096
-
-
in Japanese
-
(e) Kohno, Y.; Maekawa, K.; Azuma, N.; Tsuchioka, T.; Hashizume, T.; Imamura, A. Kogyo Kayaku 1992, 53, 227 (in Japanese).
-
(1992)
Kogyo Kayaku
, vol.53
, pp. 227
-
-
Kohno, Y.1
Maekawa, K.2
Azuma, N.3
Tsuchioka, T.4
Hashizume, T.5
Imamura, A.6
-
40
-
-
0000741585
-
-
Y coordinate of N1 given as 0.0599 in Table 2 should be negative
-
(f) Cady, H. H.; Larson, A. C.; Cromer, D. T. Acta Crystallogr. 1963, 16, 617 (Y coordinate of N1 given as 0.0599 in Table 2 should be negative).
-
(1963)
Acta Crystallogr.
, vol.16
, pp. 617
-
-
Cady, H.H.1
Larson, A.C.2
Cromer, D.T.3
-
42
-
-
33646513593
-
-
(h) Ammon, H. L.; Gilardi, R. D.; Bhattacharjee, S. K. Acta Crystallogr. 1983, C39, 1680.
-
(1983)
Acta Crystallogr.
, vol.C39
, pp. 1680
-
-
Ammon, H.L.1
Gilardi, R.D.2
Bhattacharjee, S.K.3
-
45
-
-
0000047951
-
-
(k) Black, S. StC.; Craig, D. C.; Giitsidis, O.; Read, R. W.; Salek, A.; Sefton, M. A. J. Org. Chem. 1989, 54, 4771.
-
(1989)
J. Org. Chem.
, vol.54
, pp. 4771
-
-
Black, S.StC.1
Craig, D.C.2
Giitsidis, O.3
Read, R.W.4
Salek, A.5
Sefton, M.A.6
-
46
-
-
85034301886
-
-
Private communication
-
(l) Gilardi, R. D. Private communication, 1997.
-
(1997)
-
-
Gilardi, R.D.1
-
49
-
-
0346948740
-
-
(o) George, C.; Flippen-Anderson, J. L.; Gilardi, R. Acta Crystallogr. 1990, C46, 703.
-
(1990)
Acta Crystallogr.
, vol.C46
, pp. 703
-
-
George, C.1
Flippen-Anderson, J.L.2
Gilardi, R.3
-
50
-
-
1542612522
-
-
(p) Flippen-Anderson, J. L.; George, C.; Gilardi, R. Acta Crystallogr. 1990, C46, 1122.
-
(1990)
Acta Crystallogr.
, vol.C46
, pp. 1122
-
-
Flippen-Anderson, J.L.1
George, C.2
Gilardi, R.3
-
51
-
-
0002032281
-
-
(q) Filhol, A.; Bravic, G.; Rey-Lafon, M.; Thomas, M. Acta Crystallogr. 1980, B36, 575.
-
(1980)
Acta Crystallogr.
, vol.B36
, pp. 575
-
-
Filhol, A.1
Bravic, G.2
Rey-Lafon, M.3
Thomas, M.4
-
52
-
-
0343707431
-
-
(r) Oyumi, Y.; Brill, T. B.; Rheingold, A. L. Thermochim. Acta 1987, 114, 209.
-
(1987)
Thermochim. Acta
, vol.114
, pp. 209
-
-
Oyumi, Y.1
Brill, T.B.2
Rheingold, A.L.3
-
55
-
-
11644262068
-
-
(u) Oyumi, Y.; Brill, T. B.; Rheingold, A. L. J. Phys. Chem. 1985, 89, 4824.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 4824
-
-
Oyumi, Y.1
Brill, T.B.2
Rheingold, A.L.3
-
56
-
-
60149085819
-
-
(v) Jinhua, C.; Shaoping, M.; Xiaotong, Z. Jiegou Huaxue (J. Struct. Chem.) 1983, 2, 41.
-
(1983)
Jiegou Huaxue (J. Struct. Chem.)
, vol.2
, pp. 41
-
-
Jinhua, C.1
Shaoping, M.2
Xiaotong, Z.3
-
59
-
-
0001458258
-
-
(b) Taylor, J. W.; Crookes, R. J. J. Chem. Soc., Faraday Trans, 1 1976, 72, 723.
-
(1976)
J. Chem. Soc., Faraday Trans, 1
, vol.72
, pp. 723
-
-
Taylor, J.W.1
Crookes, R.J.2
-
60
-
-
37049103334
-
-
(c) Cundall, R. B.; Palmer, T. F.; Wood, C. E. C. J. Chem. Soc., Faraday Trans, 1 1978, 74, 1339.
-
(1978)
J. Chem. Soc., Faraday Trans, 1
, vol.74
, pp. 1339
-
-
Cundall, R.B.1
Palmer, T.F.2
Wood, C.E.C.3
-
62
-
-
0000776859
-
-
Fox, D., Labes, M. M., Weissberger, A., Eds.; Wiley: New York
-
McCrone, W. C. In Physics and Chemistry of the Organic Solid State; Fox, D., Labes, M. M., Weissberger, A., Eds.; Wiley: New York, 1965; Vol. II, pp 726-766.
-
(1965)
Physics and Chemistry of the Organic Solid State
, vol.2
, pp. 726-766
-
-
McCrone, W.C.1
|