-
6
-
-
0035932162
-
-
(c) M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras, J. Chem. Phys. 114, 5149 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
7
-
-
0033198697
-
-
N. Gresh, H. Guo, D. R. Salahub, B. P. Roques, and S. A. Kafafi, J. Am. Chem. Soc. 121, 7895 (1999).
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 7895
-
-
Gresh, N.1
Guo, H.2
Salahub, D.R.3
Roques, B.P.4
Kafafi, S.A.5
-
14
-
-
0035449064
-
-
M. S. Weiss, M. Brandl, J. Sühnel, D. Pal, and R. Hilgenfeld, Trends Biochem. Sci. 26, 521 (2001).
-
(2001)
Trends Biochem. Sci.
, vol.26
, pp. 521
-
-
Weiss, M.S.1
Brandl, M.2
Sühnel, J.3
Pal, D.4
Hilgenfeld, R.5
-
17
-
-
0041992609
-
-
L. González, O. Mo, M. Yáñez, and J. Elguero, J. Chem. Phys. 109, 2685 (1998)
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2685
-
-
González, L.1
Mo, O.2
Yáñez, M.3
Elguero, J.4
-
20
-
-
0035891306
-
-
X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8748
-
-
Wu, X.1
Vargas, M.C.2
Nayak, S.3
Lotrich, V.4
Scoles, G.5
-
26
-
-
0004133516
-
-
(Gaussian Inc., Pittsburgh, Pennsylvania).
-
M. J. Fritsch, G. W. Trucks et al., Gaussian 98 (Gaussian Inc., Pittsburgh, Pennsylvania, 1998).
-
(1998)
Gaussian 98
-
-
Fritsch, M.J.1
Trucks, G.W.2
-
27
-
-
0004286868
-
-
University of Cambridge, Cambridge, UK
-
A. J. Stone, A. Dullweber, M. P. Hodges, P. L. A. Popelier, and D. J. Wales, Orient Version 3.2 University of Cambridge, Cambridge, UK, (1995)
-
(1995)
Orient Version 3.2
-
-
Stone, A.J.1
Dullweber, A.2
Hodges, M.P.3
Popelier, P.L.A.4
Wales, D.J.5
-
29
-
-
0003496737
-
-
(UMIST, Manchester, UK).
-
P. L. A. Popelier, Morphy 98 (UMIST, Manchester, UK, 1998).
-
(1998)
Morphy 98
-
-
Popelier, P.L.A.1
-
31
-
-
0035833815
-
-
P.Applincourt, C. Bureau, J. L. Anthoine, and D. P. Chong, J. Phys. Chem. A 105, 7364 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 7364
-
-
Applincourt, P.1
Bureau, C.2
Anthoine, J.L.3
Chong, D.P.4
-
35
-
-
0000128495
-
-
Y. Kim, S. Lim, H. J. Kim, and Y. Kim, J. Phys. Chem. A 103, 617 (1999).
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 617
-
-
Kim, Y.1
Lim, S.2
Kim, H.J.3
Kim, Y.4
-
36
-
-
84944179254
-
-
M. D. Harmony, V. W. Laurie, R. L. Kuczkowski, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, and A. Maki, J. Phys. Chem. Ref. Data 8, 619 (1979).
-
(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
Ramsay, D.A.5
Lovas, F.J.6
Lafferty, W.J.7
Maki, A.A.8
-
39
-
-
33845469276
-
-
S. Hayashi, J. Umemura, S. Kato, and K. Morokuma, J. Phys. Chem. 88, 1330 (1984).
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 1330
-
-
Hayashi, S.1
Umemura, J.2
Kato, S.3
Morokuma, K.4
-
40
-
-
33845280985
-
-
Y. T. Chang, Y. Yamaguchi, W. H. Miller, and H. F. Schaefer III, J. Am. Chem. Soc. 109, 7245 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 7245
-
-
Chang, Y.T.1
Yamaguchi, Y.2
Miller, W.H.3
Schaefer H.F. III4
-
41
-
-
0035942888
-
-
R. Vargas, J. Garza, R. A. Friesner, H. Stern, B. P. Hay, and D. A. Dixon, J. Phys. Chem. A 105, 4963 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 4963
-
-
Vargas, R.1
Garza, J.2
Friesner, R.A.3
Stern, H.4
Hay, B.P.5
Dixon, D.A.6
-
44
-
-
0000540863
-
-
E. Hirota, R. Sugisaki, C. J. Nielsen, and G. O. Sorensen, J. Mol. Spectrosc. 49, 251 (1974).
-
(1974)
J. Mol. Spectrosc.
, vol.49
, pp. 251
-
-
Hirota, E.1
Sugisaki, R.2
Nielsen, C.J.3
Sorensen, G.O.4
-
56
-
-
0012752699
-
-
note
-
readers on request.
-
-
-
-
57
-
-
0000561334
-
-
S. Tsuzuki, T. Uchimaru, K. Matsumura, M. Mikami, and K. Tanabe, J. Chem. Phys. 110, 11906 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11906
-
-
Tsuzuki, S.1
Uchimaru, T.2
Matsumura, K.3
Mikami, M.4
Tanabe, K.5
-
61
-
-
84961977353
-
-
C. Colominas, J. Teixido, J. Cemeli, F. J. Luque, and M. Orozco, J. Phys. Chem. B 102, 2269 (1998).
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 2269
-
-
Colominas, C.1
Teixido, J.2
Cemeli, J.3
Luque, F.J.4
Orozco, M.5
-
66
-
-
0036711929
-
-
I. Bytheway, G. S. Chandler, and B. N. Figgis, Acta Crystallogr., Sect. A: Found. Crystallogr. 58, 451 (2002).
-
(2002)
Acta Crystallogr., Sect. A: Found. Crystallogr.
, vol.58
, pp. 451
-
-
Bytheway, I.1
Chandler, G.S.2
Figgis, B.N.3
-
67
-
-
0001409695
-
-
S. K. Worsnop, R. J. Boyd, J. M. Elorza, C. Sarasola, and J. M. Ugalde, J. Chem. Phys. 112, 1113 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1113
-
-
Worsnop, S.K.1
Boyd, R.J.2
Elorza, J.M.3
Sarasola, C.4
Ugalde, J.M.5
-
69
-
-
0001114780
-
Atoms in Molecules
-
(The Royal Society of Chemistry, London)
-
P. L. A. Popelier, F. M. Aicken, and S. E. O'Brien, Atoms in Molecules, in Chemical Modelling: Applications and Theory (The Royal Society of Chemistry, London, 2000), Vol. 1
-
(2000)
Chemical Modelling: Applications and Theory
, vol.1
-
-
Popelier, P.L.A.1
Aicken, F.M.2
O'Brien, S.E.3
-
70
-
-
0001239245
-
Quantum Topological Atoms
-
(The Royal Society of Chemistry, London); Chap. 8.
-
P. L. A. Popelier and P. J. Smith, Quantum Topological Atoms, in Chemical Modelling: Applications and Theory (The Royal Society of Chemistry, London, 2002), Vol. 2, Chap. 8.
-
(2002)
Chemical Modelling: Applications and Theory
, vol.2
-
-
Popelier, P.L.A.1
Smith, P.J.2
-
76
-
-
0000163628
-
-
E. Espinosa, I. Alkorta, I. Rozas, J. Elguero, and E. Molins, ibid. 336, 457 (2001).
-
(2001)
Chem. Phys. Lett.
, vol.336
, pp. 457
-
-
Espinosa, E.1
Alkorta, I.2
Rozas, I.3
Elguero, J.4
Molins, E.5
-
80
-
-
0037159064
-
-
E. Espinosa, I. Alkorta, J. Elguero, and E. Molins, J. Chem. Phys. 117, 5529 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5529
-
-
Espinosa, E.1
Alkorta, I.2
Elguero, J.3
Molins, E.4
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