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Journal of Chemical Physics

Volumn 110, Issue 3, 1999, Pages 1611-1622

Reaction field effects on nitrogen shielding

(2) Zhan, Chang Guo a,b,c Chipman, Daniel M b

a UNIVERSITY OF NOTRE DAME (United States)

b UNIVERSITY OF NOTRE DAME (United States)

c PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84962440509 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.477801 Document Type: Article

Times cited : (96)

References (52)

1
- 0000685251
- A. D. Buckingham, T. Schacfer, and W. G. Schneider, J. Chem. Phys. 32, 1227 (1960).
- (1960) J. Chem. Phys. , vol.32 , pp. 1227
- Buckingham, A.D.¹ Schacfer, T.² Schneider, W.G.³

2
- 0001439269
- J. F. Hinton, P. Guthrie, P. Pulay, and K. Wolinski, J. Am. Chem. Soc. 114, 1604 (1992).
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 1604
- Hinton, J.F.¹ Guthrie, P.² Pulay, P.³ Wolinski, K.⁴

3
- 1542703657
- D. B. Chesnut and B. E. Rusiloski, J. Mol. Struct.: THEOCHEM 314, 19 (1994).
- (1994) J. Mol. Struct.: Theochem , vol.314 , pp. 19
- Chesnut, D.B.¹ Rusiloski, B.E.²

4
- 84986808817
- I. Ando and G. A. Webb, Org. Mag. Res. 15, 111 (1981).
- (1981) Org. Mag. Res. , vol.15 , pp. 111
- Ando, I.¹ Webb, G.A.²

5
- 0001546192
- G. Klopman, Chem. Phys. Lett. 1, 200 (1967).
- (1967) Chem. Phys. Lett. , vol.1 , pp. 200
- Klopman, G.¹

6
- 34250413311
- H. A. Germer, Jr., Theor. Chim. Acta 34, 145 (1974).
- (1974) Theor. Chim. Acta , vol.34 , pp. 145
- Germer H.A., Jr.¹

7
- 0001374524
- K. V. Mikkelsen, P. Jørgensen, K. Ruud, and T. Helgaker, J. Chem. Phys. 106, 1170 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 1170
- Mikkelsen, K.V.¹ Jørgensen, P.² Ruud, K.³ Helgaker, T.⁴

8
- 85005543135
- D. Cremer, L. Olsson, F. Reichel, and E. Kraka, Isr. J. Chem. 33, 369 (1993).
- (1993) Isr. J. Chem. , vol.33 , pp. 369
- Cremer, D.¹ Olsson, L.² Reichel, F.³ Kraka, E.⁴

9
- 84946893847
- S. Miertuš, E. Scrocco, and J. Tomasi, Chem. Phys. 55, 117 (1981).
- (1981) Chem. Phys. , vol.55 , pp. 117
- Miertuš, S.¹ Scrocco, E.² Tomasi, J.³

10
- 84962379036
- C.-G. Zhan, J. Bentley, and D. M. Chipman, J. Chem. Phys. 108, 177 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 177
- Zhan, C.-G.¹ Bentley, J.² Chipman, D.M.³

11
- 84962351405
- in press
- C.-G. Zhan and D. M. Chipman, J. Chem. Phys. (in press).
- J. Chem. Phys.
- Zhan, C.-G.¹ Chipman, D.M.²

12
- 84962363586
- edited by G. A. Webb Academic, New York
- M. Witanowski, L. Stefaniak, and G. A. Webb, Annual Reports on NMR Spectroscopy, edited by G. A. Webb (Academic, New York, 1981), Vol. 11B, p. 35.
- (1981) Annual Reports on NMR Spectroscopy , vol.11 B , pp. 35
- Witanowski, M.¹ Stefaniak, L.² Webb, G.A.³

13
- 0004250173
- Academic, New York
- I. Ando and G. A. Webb, Theory of NMR Parameters (Academic, New York, 1983).
- (1983) Theory of NMR Parameters
- Ando, I.¹ Webb, G.A.²

14
- 84989636400
- M. Witanowski, J. Sitkowski, S. Biernat, B. Kamienski, B. T. Hamdi, and G. A. Webb, Magn. Reson. Chem. 23, 748 (1985).
- (1985) Magn. Reson. Chem. , vol.23 , pp. 748
- Witanowski, M.¹ Sitkowski, J.² Biernat, S.³ Kamienski, B.⁴ Hamdi, B.T.⁵ Webb, G.A.⁶

15
- 84989637895
- M. Witanowski, J. Sitkowski, S. Biernat, L. V. Sudha, and G. A. Webb, Magn. Reson. Chem. 25, 725 (1987).
- (1987) Magn. Reson. Chem. , vol.25 , pp. 725
- Witanowski, M.¹ Sitkowski, J.² Biernat, S.³ Sudha, L.V.⁴ Webb, G.A.⁵

16
- 84989061191
- M. Witanowski, W. Sicinska, and G. A. Webb, Magn. Reson. Chem. 27, 380 (1989).
- (1989) Magn. Reson. Chem. , vol.27 , pp. 380
- Witanowski, M.¹ Sicinska, W.² Webb, G.A.³

17
- 34250928962
- M. Born, Z. Phys. 1, 45 (1920).
- (1920) Z. Phys. , vol.1 , pp. 45
- Born, M.¹

18
- 20644431615
- J. G. Kirkwood, J. Chem. Phys. 2, 351 (1934).
- (1934) J. Chem. Phys. , vol.2 , pp. 351
- Kirkwood, J.G.¹

19
- 0343791148
- L. Onsager, J. Am. Chem. Soc. 58, 1486 (1936).
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

20
- 0003397206
- Elsevier, Amsterdam
- C. J. F. Böttcher, Theory of Electric Polarization (Elsevier, Amsterdam, 1973).
- (1973) Theory of Electric Polarization
- Böttcher, C.J.F.¹

21
- 0001145493
- S. Yomosa, J. Phys. Soc. Jpn. 35, 1738 (1973).
- (1973) J. Phys. Soc. Jpn. , vol.35 , pp. 1738
- Yomosa, S.¹

22
- 84936182666
- O. Tapia and O. Goscinski, Mol. Phys. 29, 1653 (1975).
- (1975) Mol. Phys. , vol.29 , pp. 1653
- Tapia, O.¹ Goscinski, O.²

23
- 11744256643
- J. Tomasi and M. Persico, Chem. Rev. 94, 2027 (1994).
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

24
- 0004016664
- edited by O. Tapia and J. Bertrán Kluwer, Dordrecht
- C. J. Cramer and D. G. Truhlar, in Solvent Effects and Chemical Reactivity, edited by O. Tapia and J. Bertrán (Kluwer, Dordrecht, 1996), p. 1.
- (1996) Solvent Effects and Chemical Reactivity , pp. 1
- Cramer, C.J.¹ Truhlar, D.G.²

25
- 84961979198
- B. Mennucci and J. Tomasi, J. Chem. Phys. 106, 5151 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 5151
- Mennucci, B.¹ Tomasi, J.²

26
- 0031161832
- D. M. Chipman, J. Chem. Phys. 106, 10194 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 10194
- Chipman, D.M.¹

27
- 84893169025
- M. W. Schmidt et al., J. Comput. Chem. 14, 1347 (1993).
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹

28
- 0030578037
- K. V. Mikkelsen, K. Ruud, and T. Helgaker, Chem. Phys. Lett. 253, 443 (1996).
- (1996) Chem. Phys. Lett. , vol.253 , pp. 443
- Mikkelsen, K.V.¹ Ruud, K.² Helgaker, T.³

29
- 0000431331
- P.-O. Åstrand, K. V. Mikkelsen, K. Ruud, and T. Helgaker, J. Phys. Chem. 100, 19771 (1996).
- (1996) J. Phys. Chem. , vol.100 , pp. 19771
- Åstrand, P.-O.¹ Mikkelsen, K.V.² Ruud, K.³ Helgaker, T.⁴

30
- 0000378695
- T. M. Nymand, P.-O. Åstrand, and K. V. Mikkelsen, J. Phys. Chem. B 101, 4105 (1997).
- (1997) J. Phys. Chem. B , vol.101 , pp. 4105
- Nymand, T.M.¹ Åstrand, P.-O.² Mikkelsen, K.V.³

31
- 0000781102
- P.-O. Åstrand, K. V. Mikkelsen, P. Jørgensen, K. Ruud, and T. Helgaker, J. Chem. Phys. 108, 2528 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 2528
- Åstrand, P.-O.¹ Mikkelsen, K.V.² Jørgensen, P.³ Ruud, K.⁴ Helgaker, T.⁵

32
- 11744305193
- K. Wolinski, J. F. Hinton, and P. Pulay, J. Am. Chem. Soc. 112, 8251 (1990).
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8251
- Wolinski, K.¹ Hinton, J.F.² Pulay, P.³

33
- 0010922186
- Gaussian, Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94. Revision D.2. Gaussian, Inc., Pittsburgh, PA, 1995.
- (1995) Gaussian 94. Revision D.2
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

34
- 0038684112
- T. D. Bouman and A. E. Hansen, Chem. Phys. Lett. 197, 59 (1992).
- (1992) Chem. Phys. Lett. , vol.197 , pp. 59
- Bouman, T.D.¹ Hansen, A.E.²

35
- 9444290281
- J. Gauss, J. Chem. Phys. 99, 3629 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 3629
- Gauss, J.¹

36
- 0000781146
- J. Gauss, Chem. Phys. Lett. 229, 198 (1994).
- (1994) Chem. Phys. Lett. , vol.229 , pp. 198
- Gauss, J.¹

37
- 0009149697
- K. Ruud, T. Helgaker, R. Kobayashi, P. Jørgensen, K. L. Bak, and H. J. Aa. Jensen, J. Chem. Phys. 100, 8178 (1994).
- (1994) J. Chem. Phys. , vol.100 , pp. 8178
- Ruud, K.¹ Helgaker, T.² Kobayashi, R.³ Jørgensen, P.⁴ Bak, K.L.⁵ Jensen, H.J.Aa.⁶

38
- 0000814728
- V. G. Malkin, O. L. Malkina, M. E. Casida, and D. R. Salahub, J. Am. Chem. Soc. 116, 5898 (1994).
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 5898
- Malkin, V.G.¹ Malkina, O.L.² Casida, M.E.³ Salahub, D.R.⁴

39
- 0000797458
- G. Schreckenbach and T. Ziegler, J. Phys. Chem. 99, 606 (1995).
- (1995) J. Phys. Chem. , vol.99 , pp. 606
- Schreckenbach, G.¹ Ziegler, T.²

40
- 36449001997
- J. Gauss and J. F. Stanton, J. Chem. Phys. 102, 251 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 251
- Gauss, J.¹ Stanton, J.F.²

41
- 0347170005
- W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

42
- 33748545144
- P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

43
- 26844534384
- R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

44
- 36549091139
- M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

45
- 0141509423
- A. D. McLean and G. S. Chandler, J. Chem. Phys. 72, 5639 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 5639
- McLean, A.D.¹ Chandler, G.S.²

46
- 36749105590
- C. J. Jameson, A. K. Jameson, D. Oppusunggu, S. Wille, P. M. Burrell, and J. Mason, J. Chem. Phys. 74, 81 (1981).
- (1981) J. Chem. Phys. , vol.74 , pp. 81
- Jameson, C.J.¹ Jameson, A.K.² Oppusunggu, D.³ Wille, S.⁴ Burrell, P.M.⁵ Mason, J.⁶

47
- 84962467034
- M. Bühl, T. Steinke, P. von R. Schleyer, and R. Boese, Angew. Chem. Int. Ed. Engl. 30, 1160 (1991).
- (1991) Angew. Chem. Int. Ed. Engl. , vol.30 , pp. 1160
- Bühl, M.¹ Steinke, T.² Von Schleyer, P.R.³ Boese, R.⁴

48
- 0041021973
- M. Alei, Jr., A. E. Florin, W. M. Litchman, and J. F. O'Brien, J. Phys. Chem. 75, 932 (1971).
- (1971) J. Phys. Chem. , vol.75 , pp. 932
- Alei M., Jr.¹ Florin, A.E.² Litchman, W.M.³ O'Brien, J.F.⁴

49
- 0000032157
- K. Jackowski, Chem. Phys. Lett. 194, 167 (1992).
- (1992) Chem. Phys. Lett. , vol.194 , pp. 167
- Jackowski, K.¹

50
- 84962366097
- note
- 3NCS is technically correct, but not very meaningful since the shielding is very insensitive to the value of C whenever the fitting parameter A is near zero.

51
- 0031555697
- C. Amovilli and B. Mennucci, J. Phys. Chem. B 101, 1051 (1997).
- (1997) J. Phys. Chem. B , vol.101 , pp. 1051
- Amovilli, C.¹ Mennucci, B.²

52
- 0000001162
- D. M. Chipman, J. Chem. Phys. 104, 3276 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 3276
- Chipman, D.M.¹

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