-
2
-
-
55549136141
-
-
S.S. Wijimenga, M.M.W. Mooren, C.W. Hilbers, in: G.C.K. Roberts (Ed.), NMR of Macromolecules, Oxford, 1993.
-
S.S. Wijimenga, M.M.W. Mooren, C.W. Hilbers, in: G.C.K. Roberts (Ed.), NMR of Macromolecules, Oxford, 1993.
-
-
-
-
12
-
-
33645811752
-
-
Contreras R.H., Esteban A.L., Diez E., Della E.W., Lochert I.J., dos Santos F.P., and Tormena C.F. J. Phys. Chem. A 110 (2006) 4266
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 4266
-
-
Contreras, R.H.1
Esteban, A.L.2
Diez, E.3
Della, E.W.4
Lochert, I.J.5
dos Santos, F.P.6
Tormena, C.F.7
-
16
-
-
33645811648
-
-
Contreras R.H., Esteban A.L., Díez E., Head N.J., and Della E.W. Mol. Phys. 104 (2006) 485
-
(2006)
Mol. Phys.
, vol.104
, pp. 485
-
-
Contreras, R.H.1
Esteban, A.L.2
Díez, E.3
Head, N.J.4
Della, E.W.5
-
19
-
-
0035913751
-
-
Peralta J.E., Barone V., Contreras R.H., Zaccari D.G., and Snyder J.P. J. Am. Chem. Soc. 123 (2001) 9162
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 9162
-
-
Peralta, J.E.1
Barone, V.2
Contreras, R.H.3
Zaccari, D.G.4
Snyder, J.P.5
-
26
-
-
3042640517
-
-
Kaupp M., Buhl M., and Malkin V.G. (Eds), Wiley-VCH, Weinheim (Chapter 7)
-
Helgaker T., and Pecul M. In: Kaupp M., Buhl M., and Malkin V.G. (Eds). Calculation of NMR and EPR Parameters (2004), Wiley-VCH, Weinheim (Chapter 7)
-
(2004)
Calculation of NMR and EPR Parameters
-
-
Helgaker, T.1
Pecul, M.2
-
29
-
-
33750999348
-
-
Sharma G.V.M., Jadhav V.B., Ramakrishna K.V.S., Jayaprakash P., Narsimulu K., Subash V., and Kunwar A.C. J. Am. Chem. Soc. 128 (2006) 14657
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 14657
-
-
Sharma, G.V.M.1
Jadhav, V.B.2
Ramakrishna, K.V.S.3
Jayaprakash, P.4
Narsimulu, K.5
Subash, V.6
Kunwar, A.C.7
-
30
-
-
28944446881
-
-
Bour P., Budesinsky M., Spirko V., Kapitan J., Sebestik J., and Sychrovsky V. J. Am. Chem. Soc. 127 (2005) 17079
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 17079
-
-
Bour, P.1
Budesinsky, M.2
Spirko, V.3
Kapitan, J.4
Sebestik, J.5
Sychrovsky, V.6
-
32
-
-
0037184370
-
-
Juranic N., Moncrieffe M.C., Likic V.A., Prendergast F.G., and Macura S. J. Am. Chem. Soc. 124 (2002) 14221
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 14221
-
-
Juranic, N.1
Moncrieffe, M.C.2
Likic, V.A.3
Prendergast, F.G.4
Macura, S.5
-
38
-
-
18744371844
-
-
Zaccari D.G., Snyder J.P., Peralta J.E., Taurian O.E., Contreras R.H., and Barone V. Mol. Phys. 100 (2002) 705
-
(2002)
Mol. Phys.
, vol.100
, pp. 705
-
-
Zaccari, D.G.1
Snyder, J.P.2
Peralta, J.E.3
Taurian, O.E.4
Contreras, R.H.5
Barone, V.6
-
40
-
-
3242708712
-
-
Zaccari D., Barone V., Peralta J.E., Contreras R.H., Taurian O.E., Diez E., and Esteban A. Int. J. Mol. Sci. 4 (2003) 93
-
(2003)
Int. J. Mol. Sci.
, vol.4
, pp. 93
-
-
Zaccari, D.1
Barone, V.2
Peralta, J.E.3
Contreras, R.H.4
Taurian, O.E.5
Diez, E.6
Esteban, A.7
-
41
-
-
33751315336
-
-
Sychrovsky V., Vokacova Z., Sponer J., Spackova N., and Schneider B. J. Phys. Chem. B 110 (2006) 22894
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 22894
-
-
Sychrovsky, V.1
Vokacova, Z.2
Sponer, J.3
Spackova, N.4
Schneider, B.5
-
49
-
-
55549094883
-
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision D.02, Gaussian, Pittsburg, 2004.
-
-
-
-
51
-
-
55549096457
-
-
E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO, Version 3.1, Gaussian, Pittsburg, PA, 2004.
-
E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO, Version 3.1, Gaussian, Pittsburg, PA, 2004.
-
-
-
-
61
-
-
0011696888
-
-
Contreras R.H., Ruiz de Azúa M.C., Giribet C.G., Aucar G.A., and Lobayan de Bonczok R. J. Mol. Struct. (Theochem) 284 (1993) 249
-
(1993)
J. Mol. Struct. (Theochem)
, vol.284
, pp. 249
-
-
Contreras, R.H.1
Ruiz de Azúa, M.C.2
Giribet, C.G.3
Aucar, G.A.4
Lobayan de Bonczok, R.5
-
62
-
-
0012696362
-
-
Giribet C.G., Ruiz de Azúa M.C., Contreras R.H., Lobayan de Bonczok R., Aucarm G.A., and Gomes S. J. Mol. Struct. (Theochem) 300 (1993) 467
-
(1993)
J. Mol. Struct. (Theochem)
, vol.300
, pp. 467
-
-
Giribet, C.G.1
Ruiz de Azúa, M.C.2
Contreras, R.H.3
Lobayan de Bonczok, R.4
Aucarm, G.A.5
Gomes, S.6
-
64
-
-
33749152593
-
-
Giribet C.G., Vizioli C.V., Ruiz de Azúa M.C., Contreras R.H., Dannenberg J.J., and Masunov A. J. Chem. Soc., Faraday Trans. 92 (1996) 3029
-
(1996)
J. Chem. Soc., Faraday Trans.
, vol.92
, pp. 3029
-
-
Giribet, C.G.1
Vizioli, C.V.2
Ruiz de Azúa, M.C.3
Contreras, R.H.4
Dannenberg, J.J.5
Masunov, A.6
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