-
3
-
-
0001676640
-
-
Abrahams, s. C.; Monteath Robertson, J.; White, J. G. Acta Crystallogr. 1949, 2, 233-235.
-
(1949)
Acta Crystallogr.
, vol.2
, pp. 233-235
-
-
Abrahams, S.C.1
Monteath Robertson, J.2
White, J.G.3
-
5
-
-
0000895486
-
-
Ponomarev, V. I.; Filipenko, O. S.; Atovmyan, L. O. Kristallografiya 1976, 21, 392-394.
-
(1976)
Kristallografiya
, vol.21
, pp. 392-394
-
-
Ponomarev, V.I.1
Filipenko, O.S.2
Atovmyan, L.O.3
-
7
-
-
0004403757
-
-
Pawley, G. S.; Yeats, E. A. Acta Crystallogr., Sect. B 1969, 25, 2009-2013.
-
(1969)
Acta Crystallogr., Sect. B
, vol.25
, pp. 2009-2013
-
-
Pawley, G.S.1
Yeats, E.A.2
-
8
-
-
0004373270
-
-
Natkaniec, I.; Belushkin, A. V.; Dyck, W.; Fuess, H.; Zeyen, C. M. E. Z. Kristallogr. 1983, 163, 285-293.
-
(1983)
Z. Kristallogr.
, vol.163
, pp. 285-293
-
-
Natkaniec, I.1
Belushkin, A.V.2
Dyck, W.3
Fuess, H.4
Zeyen, C.M.E.5
-
9
-
-
0001841380
-
-
Schomaker, V.; Trueblood, K. N. Acta Crystallogr., Sect. B 1968, 24, 63-76.
-
(1968)
Acta Crystallogr., Sect. B
, vol.24
, pp. 63-76
-
-
Schomaker, V.1
Trueblood, K.N.2
-
10
-
-
0000241986
-
-
Brock, C. P.; Dunitz, J. D.; Hirshfeld, F. L. Acta Crystallogr., Sect. B 1991, 47, 789-797.
-
(1991)
Acta Crystallogr., Sect. B
, vol.47
, pp. 789-797
-
-
Brock, C.P.1
Dunitz, J.D.2
Hirshfeld, F.L.3
-
11
-
-
0034905806
-
-
Bürgi, H.-B.; Rangavittal, N.; Hauser, J. Helv. Chim. Acta 2001, 84, 1889-1906.
-
(2001)
Helv. Chim. Acta
, vol.84
, pp. 1889-1906
-
-
Bürgi, H.-B.1
Rangavittal, N.2
Hauser, J.3
-
13
-
-
0011000243
-
-
Interscience Publishers: New York
-
Wyckoff, R. W. G. Crystal Structures, 2nd ed.; Interscience Publishers: New York, 1965; Vol. 3, pp. 160-165.
-
(1965)
Crystal Structures, 2nd Ed.
, vol.3
, pp. 160-165
-
-
Wyckoff, R.W.G.1
-
15
-
-
1342318938
-
-
Duisenberg, A. J.; Schreurs, A., M. M. BIJVOET Centre for Biomolecular Research, Laboratory for Crystal and Structural Chemistry, Utrecht University, The Netherlands
-
Duisenberg, A. J.; Schreurs, A., M. M. BIJVOET Centre for Biomolecular Research, Laboratory for Crystal and Structural Chemistry, Utrecht University, The Netherlands.
-
-
-
-
20
-
-
0037008628
-
-
Bürgi, H.-B.; Capelli, S. C.; Goeta, A. E.; Howard, J. A. K.; Spackman, M. A.; Yufit, D. S. Chem. -Eur. J. 2002, 8, 3512-3521.
-
(2002)
Chem. -Eur. J.
, vol.8
, pp. 3512-3521
-
-
Bürgi, H.-B.1
Capelli, S.C.2
Goeta, A.E.3
Howard, J.A.K.4
Spackman, M.A.5
Yufit, D.S.6
-
21
-
-
26744462619
-
-
to be submitted for publication
-
Madsen, A. Ø.; Sørensen, H. O.; Flensburg, C.; Stewart, R. F.; Larsen, S. Acta Crystallogr. Sect. A, to be submitted for publication.
-
Acta Crystallogr. Sect. A
-
-
Madsen, A.Ø.1
Sørensen, H.O.2
Flensburg, C.3
Stewart, R.F.4
Larsen, S.5
-
22
-
-
1342297721
-
-
Huber-Buser, E. Organic Chemistry Laboratory, Swiss Federal Institute of Technology, Zürich, Switzerland, 1988
-
Huber-Buser, E. Organic Chemistry Laboratory, Swiss Federal Institute of Technology, Zürich, Switzerland, 1988.
-
-
-
-
23
-
-
1342318940
-
-
Madsen, A. Ø.; Mason, S.; Larsen, S. Acta Crystallogr., Sect. B 2003, 59, 653-663.
-
(2003)
Acta Crystallogr., Sect. B
, vol.59
, pp. 653-663
-
-
Madsen, A.Ø.1
Mason, S.2
Larsen, S.3
-
24
-
-
0025570750
-
-
Hummel, W.; Hauser, J.; Bürgi, H.-B. J. Mol. Graphics 1990, 8, 214-220.
-
(1990)
J. Mol. Graphics
, vol.8
, pp. 214-220
-
-
Hummel, W.1
Hauser, J.2
Bürgi, H.-B.3
-
25
-
-
0003867643
-
-
Saunders, V. R.; Dovesi, R.; Roetti, C.; Causa, M.; Harrison, N. M.; Orlando, R.; Zicovich-Wilson, C. M. CRYSTAL98 1.0 User's Manual; 1998.
-
(1998)
CRYSTAL98 1.0 User's Manual
-
-
Saunders, V.R.1
Dovesi, R.2
Roetti, C.3
Causa, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich-Wilson, C.M.7
-
27
-
-
0345491105
-
-
Lee,C.; Yang,W.; Parr,R.G. Phys. Rev. B 1988, 37, 785-89.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
31
-
-
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.; Petersson, 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.; Nanayakkara, 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.; Gonzalez, C.; Pople, J. A. Gaussian 94, revision E 2; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision E 2
-
-
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
Petersson, 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
Nanayakkara, 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
Gonzalez, C.34
Pople, J.A.35
more..
-
32
-
-
1342297720
-
-
http://www.chemistry.mcmaster.ca/aimpac/
-
-
-
-
33
-
-
0003653441
-
-
Oak Ridge National Laboratory: Oak Ridge, TN
-
Johnson, C. K. Report ORNL 5138; Oak Ridge National Laboratory: Oak Ridge, TN, 1976.
-
(1976)
Report ORNL
, vol.5138
-
-
Johnson, C.K.1
-
36
-
-
0034492542
-
-
Flensburg, C.; Madsen, D. Acta Crystallogr., Sect. A 2000, 56, 24-28.
-
(2000)
Acta Crystallogr., Sect. A
, vol.56
, pp. 24-28
-
-
Flensburg, C.1
Madsen, D.2
-
38
-
-
11744370264
-
-
Hobza, P.; Špirko, V.; Selzle, H. L.; Schlag, E. W. J. Phys. Chem. A 1998, 102, 2501-2504.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2501-2504
-
-
Hobza, P.1
Špirko, V.2
Selzle, H.L.3
Schlag, E.W.4
-
39
-
-
0000856036
-
-
Cubero, E.; Oronzco, M.; Luque, F. J. Chem. Phys. Lett. 1999, 310, 445-450.
-
(1999)
Chem. Phys. Lett.
, vol.310
, pp. 445-450
-
-
Cubero, E.1
Oronzco, M.2
Luque, F.J.3
-
40
-
-
0001328030
-
-
Cubero, E.; Oronzco, M.; Hobza, P.; Luque, F. J. J. Phys. Chem. A 1999, 103, 6394-6401.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 6394-6401
-
-
Cubero, E.1
Oronzco, M.2
Hobza, P.3
Luque, F.J.4
-
43
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1342276617
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note
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n. See also the actual values in Table 3S.
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44
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1342276618
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note
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The distances involved are all significantly shorter than 2.9 Å, the sum of the C and H van der Waals radii.
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