-
1
-
-
27744530363
-
-
Chen, Z.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Chem. Rev. 2005, 105, 3842
-
(2005)
Chem. Rev.
, vol.105
, pp. 3842
-
-
Chen, Z.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer V. P, R.5
-
2
-
-
0042888578
-
-
Schleyer, P. v. R.; Manoharan, M.; Wang, Z.-X.; Kiran, B.; Jiao, Y.; Puchta, R.; Hommes, N. J. R. v. E. Org. Lett. 2001, 3, 2465
-
(2001)
Org. Lett.
, vol.3
, pp. 2465
-
-
Schleyer, P.V.R.1
Manoharan, M.2
Wang, Z.-X.3
Kiran, B.4
Jiao, Y.5
Puchta, R.6
Hommes V. R J N, E.7
-
4
-
-
0001720648
-
-
Tóth, G.; Kovács, J.; Lévai, A.; Koch, A.; Kleinpeter, E. Magn. Reson. Chem. 2001, 39, 251
-
(2001)
Magn. Reson. Chem.
, vol.39
, pp. 251
-
-
Tóth, G.1
Kovács, J.2
Lévai, A.3
Koch, A.4
Kleinpeter, E.5
-
6
-
-
0036974278
-
-
Germer, A.; Klod, S.; Peter, M. G.; Kleinpeter, E. J. Mol. Model. 2002, 8, 231
-
(2002)
J. Mol. Model.
, vol.8
, pp. 231
-
-
Germer, A.1
Klod, S.2
Peter, M.G.3
Kleinpeter, E.4
-
7
-
-
0036025627
-
-
Klod, S.; Koch, A.; Kleinpeter, E. J. Chem. Soc., Perkin Trans. 2 2002, 1506
-
(2002)
J. Chem. Soc., Perkin Trans. 2
, pp. 1506
-
-
Klod, S.1
Koch, A.2
Kleinpeter, E.3
-
8
-
-
0037283319
-
-
Kovács, J.; Tóth, G.; Simon, A.; Lévai, A.; Koch, A.; Kleinpeter, E. Magn. Reson. Chem. 2003, 41, 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
-
9
-
-
3042783436
-
-
Kleinpeter, E.; Klod, S.; Rudorf, W.-D. J. Org. Chem. 2004, 69, 4317
-
(2004)
J. Org. Chem.
, vol.69
, pp. 4317
-
-
Kleinpeter, E.1
Klod, S.2
Rudorf, W.-D.3
-
11
-
-
2442706561
-
-
Szatmári, I.; Martinek, T. A.; Lázár, L.; Koch, A.; Kleinpeter, E.; Neuvonen, K.; Fülöp, F. J. Org. Chem. 2004, 69, 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
-
12
-
-
19844369992
-
-
Ryppa, C.; Senge, M. O.; Hatscher, S. S.; Kleinpeter, E.; Wacker, Ph.; Schilde, U.; Wiehe, A. Chem.-Eur. J. 2005, 11, 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
-
13
-
-
23644442095
-
-
Kleinpeter, E.; Schulenburg, A.; Zug, I.; Hartmann, H. J. Org. Chem. 2005, 70, 6592
-
(2005)
J. Org. Chem.
, vol.70
, pp. 6592
-
-
Kleinpeter, E.1
Schulenburg, A.2
Zug, I.3
Hartmann, H.4
-
15
-
-
33750007359
-
-
Heydenreich, M.; Koch, A.; Klod, S.; Szatmári, I.; Fülöp, F.; Kleinpeter, E. Tetrahedron 2006, 62, 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
-
16
-
-
42749097727
-
-
Kleinpeter, E.; Koch, A.; Sahoo, H. S.; Chand, D. K. Tetrahedron 2008, 64, 5044
-
(2008)
Tetrahedron
, vol.64
, pp. 5044
-
-
Kleinpeter, E.1
Koch, A.2
Sahoo, H.S.3
Chand, D.K.4
-
17
-
-
53349118353
-
-
Kleinpeter, E.; Koch, A.; Seidl, P. R. J. Phys. Chem. A 2008, 112, 4989
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 4989
-
-
Kleinpeter, E.1
Koch, A.2
Seidl, P.R.3
-
18
-
-
68549136618
-
-
Kleinpeter, E.; Szatmári, I.; Lázár, L.; Koch, A.; Heydenreich, M.; Fülöp, F. Tetrahedron 2009, 65, 8021
-
(2009)
Tetrahedron
, vol.65
, pp. 8021
-
-
Kleinpeter, E.1
Szatmári, I.2
Lázár, L.3
Koch, A.4
Heydenreich, M.5
Fülöp, F.6
-
19
-
-
34248218633
-
-
references therein
-
Kleinpeter, E.; Klod, S.; Koch, A. THEOCHEM 2007, 811, 45 and references therein
-
(2007)
THEOCHEM
, vol.811
, pp. 45
-
-
Kleinpeter, E.1
Klod, S.2
Koch, A.3
-
20
-
-
42649129696
-
-
Kleinpeter, E.; Klod, S.; Koch, A. THEOCHEM 2008, 857, 89
-
(2008)
THEOCHEM
, vol.857
, pp. 89
-
-
Kleinpeter, E.1
Klod, S.2
Koch, A.3
-
21
-
-
77952141295
-
-
Kleinpeter, E.; Koch, A.; Shainyan, B. A. THEOCHEM 2008, 863, 127
-
(2008)
THEOCHEM
, vol.863
, pp. 127
-
-
Kleinpeter, E.1
Koch, A.2
Shainyan, B.A.3
-
23
-
-
39349114191
-
-
Kleinpeter, E.; Klod, S.; Koch, A. J. Org. Chem. 2008, 73, 1498
-
(2008)
J. Org. Chem.
, vol.73
, pp. 1498
-
-
Kleinpeter, E.1
Klod, S.2
Koch, A.3
-
24
-
-
33644959806
-
-
Fallah-Bagher-Shaidaei, H.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Org. Lett. 2006, 8, 863
-
(2006)
Org. Lett.
, vol.8
, pp. 863
-
-
Fallah-Bagher-Shaidaei, H.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer V. P, R.5
-
25
-
-
0942279537
-
-
Corminboeuf, C.; Heine, T.; Seifert, G.; Schleyer, P. v. R.; Weber, J. Phys. Chem. Chem. Phys. 2004, 6, 273
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 273
-
-
Corminboeuf, C.1
Heine, T.2
Seifert, G.3
Schleyer, P.V.R.4
Weber, J.5
-
28
-
-
34548544953
-
-
Pelloni, St.; Lazzeretti, P.; Zanasi, R. J. Phys. Chem. A 2007, 111, 8163
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 8163
-
-
Pelloni, St.1
Lazzeretti, P.2
Zanasi, R.3
-
30
-
-
61349084788
-
-
references therein
-
Seillan, C.; Brisseset, H.; Siri, O. Org. Lett. 2008, 10, 4013 and references therein
-
(2008)
Org. Lett.
, vol.10
, pp. 4013
-
-
Seillan, C.1
Brisseset, H.2
Siri, O.3
-
31
-
-
65349113688
-
-
Tang, Q.; Liu, J.; Chan, H. S.; Miao, Q. Chem.-Eur. J. 2009, 15, 3965
-
(2009)
Chem.-Eur. J.
, vol.15
, pp. 3965
-
-
Tang, Q.1
Liu, J.2
Chan, H.S.3
Miao, Q.4
-
32
-
-
3142565573
-
-
note
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
Gaussian 03
-
-
-
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-
-
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-
-
The lattice points ("ghost atoms") should be sensor points only without energy contribution in the present calculations. Only if DFT or HF calculations are applied is this true; in the case of electron correlation calculations, the "ghost atoms" get their own electron density and show some influence on the energy of the studied molecule. In these cases, the TSNMRS surfaces are heavily distorted
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The lattice points ("ghost atoms") should be sensor points only without energy contribution in the present calculations. Only if DFT or HF calculations are applied is this true; in the case of electron correlation calculations, the "ghost atoms" get their own electron density and show some influence on the energy of the studied molecule. In these cases, the TSNMRS surfaces are heavily distorted.
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Tripos, Inc.: St. Louis, MO
-
SYBYL 7.3; Tripos, Inc.: St. Louis, MO, 2007.
-
(2007)
SYBYL 7.3
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-
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