-
1
-
-
0026240760
-
-
See, for example: Hutnik, M.; Argon, A. S.; Suter, U. W. Macromolecules 1991, 24, 5970. Tomaselli, M.; Robyr, P.; Meier, B. H.; Grob-Pisano, C.; Ernst, R. R.; Suter, U. W. Macromolecules 1996, 89, 1663. Goetz, J. M.; Wu, J.; Yee, A. F.; Schaefer, J. Macromolecules 1998, 31, 3016 and references therein.
-
(1991)
Macromolecules
, vol.24
, pp. 5970
-
-
Hutnik, M.1
Argon, A.S.2
Suter, U.W.3
-
2
-
-
0001104327
-
-
See, for example: Hutnik, M.; Argon, A. S.; Suter, U. W. Macromolecules 1991, 24, 5970. Tomaselli, M.; Robyr, P.; Meier, B. H.; Grob-Pisano, C.; Ernst, R. R.; Suter, U. W. Macromolecules 1996, 89, 1663. Goetz, J. M.; Wu, J.; Yee, A. F.; Schaefer, J. Macromolecules 1998, 31, 3016 and references therein.
-
(1996)
Macromolecules
, vol.89
, pp. 1663
-
-
Tomaselli, M.1
Robyr, P.2
Meier, B.H.3
Grob-Pisano, C.4
Ernst, R.R.5
Suter, U.W.6
-
3
-
-
0032485670
-
-
and references therein
-
See, for example: Hutnik, M.; Argon, A. S.; Suter, U. W. Macromolecules 1991, 24, 5970. Tomaselli, M.; Robyr, P.; Meier, B. H.; Grob-Pisano, C.; Ernst, R. R.; Suter, U. W. Macromolecules 1996, 89, 1663. Goetz, J. M.; Wu, J.; Yee, A. F.; Schaefer, J. Macromolecules 1998, 31, 3016 and references therein.
-
(1998)
Macromolecules
, vol.31
, pp. 3016
-
-
Goetz, J.M.1
Wu, J.2
Yee, A.F.3
Schaefer, J.4
-
4
-
-
0032480737
-
-
and references therein
-
Montanari, B.; Ballone, P.; Jones, R. O. Macromolecules 1998, 31, 7784 and references therein.
-
(1998)
Macromolecules
, vol.31
, pp. 7784
-
-
Montanari, B.1
Ballone, P.2
Jones, R.O.3
-
8
-
-
2142749291
-
-
Brunelle, D. J., Ed.; Hanser: München, Germany
-
Brunelle, D. J. In Ring-Opening Polymerization: Mechanisms, Catalysis, Structure, Utility; Brunelle, D. J., Ed.; Hanser: München, Germany, 1993; p 1, 309.
-
(1993)
Ring-Opening Polymerization: Mechanisms, Catalysis, Structure, Utility
, pp. 1
-
-
Brunelle, D.J.1
-
10
-
-
0001145051
-
-
and references therein
-
See, for example: Kunert, M.; Dinjus, E.; Nauck, M.; Sieler, J. Chem. Ber./Recueil 1997, 130, 1461 and references therein.
-
(1997)
Chem. Ber./Recueil
, vol.130
, pp. 1461
-
-
Kunert, M.1
Dinjus, E.2
Nauck, M.3
Sieler, J.4
-
11
-
-
0041931547
-
-
Bailly, C.; Daumerie, M.; Legras, R.; Mercier, J. P. Makromol. Chem. 1986, 187, 1197.
-
(1986)
Makromol. Chem.
, vol.187
, pp. 1197
-
-
Bailly, C.1
Daumerie, M.2
Legras, R.3
Mercier, J.P.4
-
12
-
-
0000622003
-
-
Brunelle, D. J.; Boden, E. P.; Shannon, T. G. J. Am. Chem. Soc. 1990, 112, 2399.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 2399
-
-
Brunelle, D.J.1
Boden, E.P.2
Shannon, T.G.3
-
13
-
-
84986841515
-
-
Brunelle, D. J.; Shannon, T. G. Makromol. Chem., Macromol. Symp. 1991, 42/43, 155.
-
(1991)
Makromol. Chem., Macromol. Symp.
, vol.42-43
, pp. 155
-
-
Brunelle, D.J.1
Shannon, T.G.2
-
14
-
-
51149210200
-
-
See, for example: Jones, R. O.; Gunnarsson, O. Rev. Mod. Phys. 1989, 61, 689; Density Functional Theory; NATO ASI Series, Series B, Physics; Vol. 337; Gross, E. K. U., Dreizler, R. M., Eds.; Plenum: New York, 1995.
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689
-
-
Jones, R.O.1
Gunnarsson, O.2
-
15
-
-
51149210200
-
-
NATO ASI Series, Series B, Physics; Plenum: New York
-
See, for example: Jones, R. O.; Gunnarsson, O. Rev. Mod. Phys. 1989, 61, 689; Density Functional Theory; NATO ASI Series, Series B, Physics; Vol. 337; Gross, E. K. U., Dreizler, R. M., Eds.; Plenum: New York, 1995.
-
(1995)
Density Functional Theory
, vol.337
-
-
Gross, E.K.U.1
Dreizler, R.M.2
-
16
-
-
0032677270
-
-
Montanari, B.; Ballone, P.; Jones, R. O. Macromolecules 1999, 32, 3396.
-
(1999)
Macromolecules
, vol.32
, pp. 3396
-
-
Montanari, B.1
Ballone, P.2
Jones, R.O.3
-
18
-
-
0000092150
-
-
and references therein
-
Montanari, B.; Ballone, P.; Jones, R. O. J. Chem. Phys. 1998, 108, 6947 and references therein.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 6947
-
-
Montanari, B.1
Ballone, P.2
Jones, R.O.3
-
19
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
21
-
-
36449005292
-
-
Baker, J.; Muir, M.; Andzelm, J. J. Chem. Phys. 1995, 102, 2063.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2063
-
-
Baker, J.1
Muir, M.2
Andzelm, J.3
-
22
-
-
0031142690
-
-
Borrmann, A.; Montanari, B.; Jones, R. O. J. Chem. Phys. 1997, 106, 8545.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 8545
-
-
Borrmann, A.1
Montanari, B.2
Jones, R.O.3
-
25
-
-
0003925486
-
-
Max-Planck-Institut für Festkörperforschung and IBM Research
-
Hutter, J.; et al. CPMD program version 3.0, Max-Planck-Institut für Festkörperforschung and IBM Research, 1990-99.
-
(1990)
CPMD Program Version 3.0
-
-
Hutter, J.1
-
26
-
-
0030873855
-
-
For a discussion of electrostatic charges derived from quantum chemistry computations, see, for instance: Hawkins, G. D.; Cramer, C. J.; Truhlar, D. G. J. Chim. Phys. (Paris) 1997, 94, 1448.
-
(1997)
J. Chim. Phys. (Paris)
, vol.94
, pp. 1448
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
29
-
-
0042432551
-
-
CECAM-ENS: Lyon, France
-
Marchi, M.; Procacci, P. ORAC version 3.0; CECAM-ENS: Lyon, France. Parameters related to the Li atom were tuned using the results of the density functional calculations (bond lengths, binding energy).
-
ORAC Version 3.0
-
-
Marchi, M.1
Procacci, P.2
|