-
1
-
-
0025347453
-
-
Shambayati, S.; Schreiber, S. L.; Blake, J. F.; Wierschke, S. G.; Jorgensen, W. L. J. Am. Chem. Soc. 1990, 112, 697.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 697
-
-
Shambayati, S.1
Schreiber, S.L.2
Blake, J.F.3
Wierschke, S.G.4
Jorgensen, W.L.5
-
5
-
-
0037077057
-
-
(a) Roush, W. R.; Bannister, T. D.; Wendt, M. D.; VanNieuwenhze, M. S.; Gustin, D. J.; Dilley, G. J.; Lane, G. C.; Scheidt, K. A.; Smith, W. J., III. J. Org. Chem. 2002, 67, 4284.
-
(2002)
J. Org. Chem
, vol.67
, pp. 4284
-
-
Roush, W.R.1
Bannister, T.D.2
Wendt, M.D.3
VanNieuwenhze, M.S.4
Gustin, D.J.5
Dilley, G.J.6
Lane, G.C.7
Scheidt, K.A.8
Smith III, W.J.9
-
6
-
-
28744431819
-
-
(b) Dias, L. C.; Aguilar, A. M.; Salles, A. G., Jr.; Steil, L. J.; Roush, W. R. J. Org. Chem. 2005, 70, 10461.
-
(2005)
J. Org. Chem
, vol.70
, pp. 10461
-
-
Dias, L.C.1
Aguilar, A.M.2
Salles Jr., A.G.3
Steil, L.J.4
Roush, W.R.5
-
7
-
-
0000253239
-
-
(c) Heathcock, C. H.; Pirrung, M. C.; Sohn, J. E. J. Org. Chem. 1979, 44, 4294.
-
(1979)
J. Org. Chem
, vol.44
, pp. 4294
-
-
Heathcock, C.H.1
Pirrung, M.C.2
Sohn, J.E.3
-
8
-
-
38749102474
-
-
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, Keit
-
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 D.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
-
-
-
9
-
-
0345491105
-
-
(a) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
13
-
-
38749088044
-
-
Glendening, E. D.; Badenhoop, J. K., Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. N.; Weinhold, J. NBO 5.G compiled with Gaussiam 03.
-
Glendening, E. D.; Badenhoop, J. K., Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. N.; Weinhold, J. NBO 5.G compiled with Gaussiam 03.
-
-
-
-
15
-
-
0035978673
-
-
(b) Weinhold, F. Nature 2001, 411, 539.
-
(2001)
Nature
, vol.411
, pp. 539
-
-
Weinhold, F.1
-
18
-
-
0031768931
-
-
(a) Walkup, R. D.; Kahl, J. D.; Kane, R. R. J. Org. Chem. 1998, 63, 9113.
-
(1998)
J. Org. Chem
, vol.63
, pp. 9113
-
-
Walkup, R.D.1
Kahl, J.D.2
Kane, R.R.3
-
20
-
-
84989636757
-
-
(a) Kleinpeter, E.; Meusinger, R.; Duschek, C.; Borsdorf, R. Magn. Reson. Chem. 1987, 25, 990.
-
(1987)
Magn. Reson. Chem
, vol.25
, pp. 990
-
-
Kleinpeter, E.1
Meusinger, R.2
Duschek, C.3
Borsdorf, R.4
-
24
-
-
38749087345
-
-
Note: Pauling argued that H-bonding is ionic in nature, being described by classical dipole-dipole electrostatic interactions. In terms of NBO, the hydrogen bond (O - H⋯B, where B = Lewis base) is described by an interaction of the lone pairs of the Lewis base with the antibonding orbital of the O - H group. See:
-
Note: Pauling argued that H-bonding is ionic in nature, being described by classical dipole-dipole electrostatic interactions. In terms of NBO, the hydrogen bond (O - H⋯B, where B = Lewis base) is described by an interaction of the lone pairs of the Lewis base with the antibonding orbital of the O - H group. See:
-
-
-
-
26
-
-
33947340154
-
-
Chem. Soc
-
(b) Pauling, L. 7. Am. Chem. Soc. 1931, 53, 1367.
-
(1931)
7. Am
, vol.53
, pp. 1367
-
-
Pauling, L.1
-
30
-
-
0001087855
-
-
(d) Isaacs, E. D.; Shukla, A.; Platzman, P. M.; Hamann, D. R.; Barbiellini, B.; Tulk, C. A. Phys. Ver. Lett. 1999, 82, 600.
-
(1999)
Phys. Ver. Lett
, vol.82
, pp. 600
-
-
Isaacs, E.D.1
Shukla, A.2
Platzman, P.M.3
Hamann, D.R.4
Barbiellini, B.5
Tulk, C.A.6
-
32
-
-
33645102812
-
-
Shenderovich, I. G.; Smirnov, Sergei, N.; Denisov, G. S.; Gindin, Vladimir, A.; Golubev, N. S.; Dunger, A.; Reibke, R.; Kirpekar, S.; Malkina, O. L.; Limbach, H. H. Ber. Bunsen-Ges. Phys. Chem. 1998, 102, 422.
-
(f) Shenderovich, I. G.; Smirnov, Sergei, N.; Denisov, G. S.; Gindin, Vladimir, A.; Golubev, N. S.; Dunger, A.; Reibke, R.; Kirpekar, S.; Malkina, O. L.; Limbach, H. H. Ber. Bunsen-Ges. Phys. Chem. 1998, 102, 422.
-
-
-
-
34
-
-
0033620446
-
-
Cornilescu, G.; Hu, J.-S.; Bax, A. J. Am. Chem. Soc. 1999, 121, 2949.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 2949
-
-
Cornilescu, G.1
Hu, J.-S.2
Bax, A.3
-
35
-
-
0032586932
-
-
(h) Wang, Y.-X.; Jacob, J.; Cordier, F.; Wingfield, P.; Stahl, S. J.; Lee-Huang, S.; Torchia, D.; Grzesiek, S.; Bax, A. J. Biomol. NMR 1999, 14, 181.
-
(1999)
J. Biomol. NMR
, vol.14
, pp. 181
-
-
Wang, Y.-X.1
Jacob, J.2
Cordier, F.3
Wingfield, P.4
Stahl, S.J.5
Lee-Huang, S.6
Torchia, D.7
Grzesiek, S.8
Bax, A.9
-
38
-
-
0035892190
-
-
Rozas, I.; Alkorta, I.; Elguero, J. J. Phys. Chem. A 2001, 105, 10462.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 10462
-
-
Rozas, I.1
Alkorta, I.2
Elguero, J.3
-
39
-
-
37049092139
-
-
Pitt, C. G.; Bursey, M. M.; Chatfield, D. A. J. Chem. Soc., Perkin Trans. 2 1976, 434.
-
(1976)
J. Chem. Soc., Perkin Trans. 2
, pp. 434
-
-
Pitt, C.G.1
Bursey, M.M.2
Chatfield, D.A.3
|