-
11
-
-
20444496146
-
-
J. Nakazawa J. Hagiwara M. Mizuki Y. Shimazaki F. Tani Y. Naruta Angew. Chem., Int. Ed. 2005 44 3744 3746
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 3744-3746
-
-
Nakazawa, J.1
Hagiwara, J.2
Mizuki, M.3
Shimazaki, Y.4
Tani, F.5
Naruta, Y.6
-
14
-
-
0343780138
-
-
S. De Lauzon R. Quilez L. Lion B. Desfosses B. Desfosses I. Lee M.-A. Sari S. J. Benkovic D. Mansuy J.-P. Mahy Eur. J. Biochem. 1998 257 121 130
-
(1998)
Eur. J. Biochem.
, vol.257
, pp. 121-130
-
-
De Lauzon, S.1
Quilez, R.2
Lion, L.3
Desfosses, B.4
Desfosses, B.5
Lee, I.6
Sari, M.-A.7
Benkovic, S.J.8
Mansuy, D.9
Mahy, J.-P.10
-
21
-
-
84859100282
-
-
3 for was estimated by the GRASP program. Packing coefficients of 0.85 and 0.74 for pyridine and imidazole were larger than the 55% solution reported by Rebek et al.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford CT, 2009
-
(2009)
Gaussian 09, Revision A.1
, vol.1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
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-1) to that from outside of the cavity. M06-2X evaluates noncovalent interactions, so that the preference of the ligand coordination in the M06-2X calculations would be due to van der Waals attractions between calix[4]arene and guest molecule. The same trend was observed in the DFT calculations of 1Zn -imidazole complex
-
S. Mecozzi J. Rebek Chem.-Eur. J. 1998 4 1016 1022
-
(1998)
Chem.-Eur. J.
, vol.4
, pp. 1016-1022
-
-
Mecozzi, S.1
Rebek, J.2
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