-
1
-
-
0034618555
-
-
Prinzbach H., Weiler A., Landenberger P., Wahl F., Wörth J., Scott L.A., Gelmont M., Olevano D., and Issendorff B.v. Nature 407 (2000) 60
-
(2000)
Nature
, vol.407
, pp. 60
-
-
Prinzbach, H.1
Weiler, A.2
Landenberger, P.3
Wahl, F.4
Wörth, J.5
Scott, L.A.6
Gelmont, M.7
Olevano, D.8
Issendorff, B.v.9
-
4
-
-
0030789628
-
-
Bertau M., Wahl F., Weiler A., Scheumann K., Wörth J., Keller M., and Prinzbach H. Tetrahedron 53 (1997) 10029
-
(1997)
Tetrahedron
, vol.53
, pp. 10029
-
-
Bertau, M.1
Wahl, F.2
Weiler, A.3
Scheumann, K.4
Wörth, J.5
Keller, M.6
Prinzbach, H.7
-
6
-
-
1542349059
-
-
Chen Z., Heine T., Jiao H., Hirsch A., Thiel W., and Ragué Schleyer P.v. Chem. Eur. J. 10 (2004) 963
-
(2004)
Chem. Eur. J.
, vol.10
, pp. 963
-
-
Chen, Z.1
Heine, T.2
Jiao, H.3
Hirsch, A.4
Thiel, W.5
Ragué Schleyer, P.v.6
-
9
-
-
0035605175
-
-
Chen Z., Jiao H., Bühl M., Hirsch A., and Thiel W. Theor. Chem. Acc. 106 (2001) 352
-
(2001)
Theor. Chem. Acc.
, vol.106
, pp. 352
-
-
Chen, Z.1
Jiao, H.2
Bühl, M.3
Hirsch, A.4
Thiel, W.5
-
11
-
-
2242482046
-
-
Chen Z., Jiao H., Hirsch A., and Ragué Schleyer P.v. Angew. Chem., Int. Ed. 41 (2002) 4309
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 4309
-
-
Chen, Z.1
Jiao, H.2
Hirsch, A.3
Ragué Schleyer, P.v.4
-
12
-
-
0035353536
-
-
(and references therein)
-
Bühl M., and Hirsch A. Chem. Rev. 101 (2001) 1153 (and references therein)
-
(2001)
Chem. Rev.
, vol.101
, pp. 1153
-
-
Bühl, M.1
Hirsch, A.2
-
13
-
-
27744578997
-
-
(and references therein)
-
Chen Z., and King R.B. Chem. Rev. 105 (2005) 3613 (and references therein)
-
(2005)
Chem. Rev.
, vol.105
, pp. 3613
-
-
Chen, Z.1
King, R.B.2
-
14
-
-
27744583970
-
-
(and references therein)
-
Lu X., and Chen Z. Chem. Rev. 105 (2005) 3643 (and references therein)
-
(2005)
Chem. Rev.
, vol.105
, pp. 3643
-
-
Lu, X.1
Chen, Z.2
-
15
-
-
27744530363
-
-
Chen Z., Wannere C.S., Corminboeuf C., Puchta R., and Ragué Schleyer P.v. Chem. Rev. 105 (2005) 3842
-
(2005)
Chem. Rev.
, vol.105
, pp. 3842
-
-
Chen, Z.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Ragué Schleyer, P.v.5
-
16
-
-
0042888578
-
-
von Ragué Schleyer P., Manoharan M., Wang Z.X., Kiran B., Jiao H., Puchta R., and Hommes N.J.R.vanE. Org. Lett. 3 (2001) 2465
-
(2001)
Org. Lett.
, vol.3
, pp. 2465
-
-
von Ragué Schleyer, P.1
Manoharan, M.2
Wang, Z.X.3
Kiran, B.4
Jiao, H.5
Puchta, R.6
Hommes, N.J.R.vanE.7
-
21
-
-
0001720648
-
-
Tóth G., Kovács J., Lévai A., Koch A., and Kleinpeter E. Magn. Reson. Chem. 39 (2001) 251
-
(2001)
Magn. Reson. Chem.
, vol.39
, pp. 251
-
-
Tóth, G.1
Kovács, J.2
Lévai, A.3
Koch, A.4
Kleinpeter, E.5
-
25
-
-
0037283319
-
-
Kovács J., Tóth G., Simon A., Lévai A., Koch A., and Kleinpeter E. Magn. Reson. Chem. 41 (2003) 193
-
(2003)
Magn. Reson. Chem.
, vol.41
, pp. 193
-
-
Kovács, J.1
Tóth, G.2
Simon, A.3
Lévai, A.4
Koch, A.5
Kleinpeter, E.6
-
28
-
-
2442706561
-
-
Szatmári I., Martinek T.A., Lázár L., Koch A., Kleinpeter E., Neuvonen K., and Fülöp F. J. Org. Chem. 69 (2004) 3645
-
(2004)
J. Org. Chem.
, vol.69
, pp. 3645
-
-
Szatmári, I.1
Martinek, T.A.2
Lázár, L.3
Koch, A.4
Kleinpeter, E.5
Neuvonen, K.6
Fülöp, F.7
-
30
-
-
19844369992
-
-
Ryppa C., Senge M.O., Hatscher S.S., Kleinpeter E., Wacker Ph., Schilde U., and Wiehe A. Chem. Eur. J. 11 (2005) 3427
-
(2005)
Chem. Eur. J.
, vol.11
, pp. 3427
-
-
Ryppa, C.1
Senge, M.O.2
Hatscher, S.S.3
Kleinpeter, E.4
Wacker, Ph.5
Schilde, U.6
Wiehe, A.7
-
33
-
-
33750007359
-
-
Heydenreich M., Koch A., Klod S., Szatmári I., Fülöp F., and Kleinpeter E. Tetrahedron 62 (2006) 11081
-
(2006)
Tetrahedron
, vol.62
, pp. 11081
-
-
Heydenreich, M.1
Koch, A.2
Klod, S.3
Szatmári, I.4
Fülöp, F.5
Kleinpeter, E.6
-
37
-
-
72049090162
-
-
in press
-
E. Kleinpeter, I. Szatmári, L. Lázár, A. Koch, M. Heydenreich, F. Fülöp, Tetrahedron, in press.
-
Tetrahedron
-
-
Kleinpeter, E.1
Szatmári, I.2
Lázár, L.3
Koch, A.4
Heydenreich, M.5
Fülöp, F.6
-
40
-
-
72049096408
-
-
ACS Press, Washington
-
Martin N.H., Allen III N.W., Minga E.K., Ingrassia S.T., and Brown J.D. Proceedings of ACS symposium, Modeling NMR Chemical Shifts: Gaining Insight into Structure and Environment (1999), ACS Press, Washington
-
(1999)
Proceedings of ACS symposium, Modeling NMR Chemical Shifts: Gaining Insight into Structure and Environment
-
-
Martin, N.H.1
Allen III, N.W.2
Minga, E.K.3
Ingrassia, S.T.4
Brown, J.D.5
-
45
-
-
0000317847
-
-
Agarwal A., Barnes J.A., Fletcher J.L., McGlinchey M.J., and Saver B.G. Can. J. Chem. 55 (1977) 2575
-
(1977)
Can. J. Chem.
, vol.55
, pp. 2575
-
-
Agarwal, A.1
Barnes, J.A.2
Fletcher, J.L.3
McGlinchey, M.J.4
Saver, B.G.5
-
52
-
-
15744375697
-
-
Gaussian, Inc., Wallingford, CT
-
Frisch M.J., et al. Gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford, CT
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
-
54
-
-
0011190497
-
-
von Ragué Schleyer P., Maerker C., Dransfeld A., Jiao H., and Hommes N.J.R.vanE. J. Am. Chem. Soc. 118 (1996) 6317
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6317
-
-
von Ragué Schleyer, P.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Hommes, N.J.R.vanE.5
-
55
-
-
72049128352
-
-
The lattice points (ghost atoms) should be sensor points only without energy contribution in the present calculations. Only if HF calculations are applied this proved to be true; in case of electron correlation calculations, the ghost atoms get their own electron density and are of some influence on the energy of the studied molecule hereby. In these cases the TSNMRS surfaces proved to get heavily distorted.
-
The lattice points ("ghost atoms") should be sensor points only without energy contribution in the present calculations. Only if HF calculations are applied this proved to be true; in case of electron correlation calculations, the "ghost atoms" get their own electron density and are of some influence on the energy of the studied molecule hereby. In these cases the TSNMRS surfaces proved to get heavily distorted.
-
-
-
-
56
-
-
72049127022
-
-
SYBYL 7.2 Tripos Inc. 1699 South Hanley Road, St. Louis, Missouri 63144, USA, 2006.
-
SYBYL 7.2 Tripos Inc. 1699 South Hanley Road, St. Louis, Missouri 63144, USA, 2006.
-
-
-
-
57
-
-
72049083758
-
-
Reference 17 and references therein
-
Reference 17 and references therein.
-
-
-
-
62
-
-
0001686651
-
-
Smith III A.B., Strongin R.M., Brard L., Furst G.T., Romanow W.J., Owens K.G., and King R.C. J. Am. Chem. Soc. 115 (1993) 5829
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5829
-
-
Smith III, A.B.1
Strongin, R.M.2
Brard, L.3
Furst, G.T.4
Romanow, W.J.5
Owens, K.G.6
King, R.C.7
-
63
-
-
0033534061
-
-
Sternfeld T., Wudl F., Hummelen K., Weitz A., Haddon R.C., and Rabinovitz M. Chem. Commun. (1999) 2411
-
(1999)
Chem. Commun.
, pp. 2411
-
-
Sternfeld, T.1
Wudl, F.2
Hummelen, K.3
Weitz, A.4
Haddon, R.C.5
Rabinovitz, M.6
-
64
-
-
0037127021
-
-
Reinbold J., Sackers E., Oßwald T., Weber K., Weiler A., Voss T., Hunkler D., Wörth J., Knothe L., Sommer F., Morgner N., von Issendorff B., and Prinzbach H. Chem. Eur. J. 8 (2002) 509
-
(2002)
Chem. Eur. J.
, vol.8
, pp. 509
-
-
Reinbold, J.1
Sackers, E.2
Oßwald, T.3
Weber, K.4
Weiler, A.5
Voss, T.6
Hunkler, D.7
Wörth, J.8
Knothe, L.9
Sommer, F.10
Morgner, N.11
von Issendorff, B.12
Prinzbach, H.13
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