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Volumn 114, Issue 21, 2001, Pages 9236-9243

The calculation of 13C chemical shielding tensors in ionic compounds utilizing point charge arrays obtained from Ewald lattice sums

(3) Stueber, D a Guenneau, F N a Grant, D M a

a UNIVERSITY OF UTAH (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; CORRELATION THEORY; CRYSTAL ORIENTATION; NUCLEAR MAGNETIC RESONANCE; POTASSIUM COMPOUNDS; QUANTUM THEORY; TENSORS;

CHEMICAL SHIELDING TENSORS; EMBEDDED ION METHOD (EIM);

IONS;

EID: 0035367795 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1356016 Document Type: Article

Times cited : (51)

References (43)

1
- 0000397244
- edited by D. M. Grant and R. K. Hams (Wiley, Chichester)
- (1996) Encyclopedia of NMR , vol.2 , pp. 1298-1321
- Grant, D.M.¹

2
- 85050325103
- (1989) Top. Stereochem , vol.19 , pp. 1
- Facelli, J.C.¹ Grant, D.M.²

3
- 0000308542
- (1987) Theor. Chim. Acta , vol.71 , pp. 277
- Facelli, J.C.¹ Grant, D.M.²

4
- 0000688239
- (1991) J. Am. Chem. Soc , vol.113 , pp. 750
- Sherwood, M.H.¹ Facelli, J.C.² Alderman, D.W.³ Grant, D.M.⁴

5
- 0001661099
- (1992) J. Am. Chem. Soc , vol.114 , pp. 2826
- Soderquist, A.¹ Hughes, C.D.² Horton, W.J.³ Facelli, J.C.⁴ Grant, D.M.⁵

6
- 0032537989
- (1998) J. Am. Chem. Soc , vol.120 , pp. 9305
- Iuliucci, R.J.¹ Facelli, J.C.² Alderman, D.W.³ Grant, D.M.⁴

7
- 0029272947
- (1995) J. Am. Chem. Soc , vol.117 , pp. 2336
- Iuliucci, R.J.¹ Phung, C.G.² Facelli, J.C.³ Grant, D.M.⁴

8
- 0001405163
- (1987) J. Am. Chem. Soc , vol.109 , pp. 2639
- Carter, C.M.¹ Alderman, D.W.² Facelli, J.C.³ Grant, D.M.⁴

9
- 0030006667
- (1996) J. Am. Chem. Soc , vol.118 , pp. 4880
- Iuliucci, R.J.¹ Phung, C.G.² Facelli, J.C.³ Grant, D.M.⁴

10
- 0032380636
- (1998) Magn. Reson. Chem , vol.36 , pp. 135
- Harper, J.K.¹ McGeorge, G.² Grant, D.M.³

11
- 2142686549
- Modeling NMR chemical shifts: Gaining insights into structure and environment
- Washington, DC
- (1998) ACS Symposium Series 732
- Facelli, J.C.¹ DeDios, A.C.²

12
- 0001480927
- (1999) Chem. Phys. Lett , vol.302 , pp. 499
- Orendt, A.M.¹ Facelli, J.C.² Grant, D.M.³

13
- 0002044265
- (1997) J. Magn. Reson , vol.127 , pp. 49
- Tossell, J.A.¹

14
- 0001109404
- (1996) Phys. Rev. Lett , vol.77 , pp. 5300
- Mauri, F.¹ Pfrommer, B.G.² Louie, S.G.³

15
- 0030664068
- (1997) J. Am. Chem. Soc , vol.119 , pp. 9804
- Solum, M.S.¹ Altmann, K.L.² Strohmeier, M.³ Berges, D.A.⁴ Zhang, Y.⁵ Facelli, J.C.⁶ Pugmire, R.J.⁷ Grant, D.M.⁸

16
- 0001763106
- (1995) Mol. Phys , vol.86 , pp. 865
- Facelli, J.C.¹ McDermott, A.² Gu, Z.³

17
- 0000664425
- (1998) J. Am. Chem. Soc , vol.120 , pp. 9863
- Hu, J.Z.¹ Facelli, J.C.² Alderman, D.W.³ Pugmire, R.J.⁴ Grant, D.M.⁵

18
- 0029942125
- (1996) J. Am. Chem. Soc , vol.118 , pp. 5488
- Facelli, J.C.¹ Pugmire, R.J.² Grant, D.M.³

19
- 0000241497
- (2000) J. Chem. Phys , vol.112 , pp. 2074
- Derenzo, S.E.¹ Klintenberg, M.K.² Weber, M.J.³

20
- 0003222084
- (1921) Ann. Phys. (Paris) , vol.64 , pp. 253
- Ewald, P.P.¹

21
- 0034274827
- (2000) Comput. Phys. Commun , vol.131 , pp. 120
- Klintenberg, M.¹ Derenzo, S.E.² Weber, M.J.³

22
- 85008371843
- to be published
- Inorganic Chemistry
- Stueber, D.¹ Arif, A.M.² Grant, D.M.³ Parry, R.W.⁴

23
- 0003662632
- Gaussian, Inc., Pittsburgh, PA
- (1998) GAUSSIAN 98. Revision A.7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

24
- 85008371843
- to be published
- Inorganic Chemistry
- Stueber, D.¹ Patterson, D.² Mayne, C.L.³ Orendt, A.M.⁴ Grant, D.M.⁵ Parry, R.W.⁶

25
- 36549093724
- (1986) J. Chem. Phys , vol.84 , pp. 3717
- Alderman, D.W.¹ Solum, M.S.² Grant, D.M.³

26
- 3843146349
- (1993) J. Chem. Phys , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning, T.H.²

27
- 0000189651
- (1993) J. Chem. Phys , vol.98 , pp. 5648
- Becke, A.D.¹

28
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

29
- 4143095330
- (1992) J. Chem. Phys , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning, T.H.² Harrison, R.J.³

30
- 0000189651
- (1993) J. Chem. Phys , vol.98 , pp. 5648
- Becke, A.D.¹

31
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

32
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

33
- 0038596731
- (1989) Chem. Phys. Lett , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

34
- 45449123708
- (1988) J. Mol. Struct.: THEOCHEM , vol.169 , pp. 41
- Carpenter, J.E.¹ Weinhold, F.²

35
- 85008413371
- Ph.D. thesis, University of Wisconsin
- (1987)
- Carpenter, J.E.¹

36
- 33744614883
- (1980) J. Am. Chem. Soc , vol.102 , pp. 7211
- Foster, J.P.¹ Weinhold, F.²

37
- 36749116113
- (1983) J. Chem. Phys , vol.78 , pp. 4066
- Reed, A.E.¹ Weinhold, F.²

38
- 36549103221
- (1985) J. Chem. Phys , vol.83 , pp. 1736

39
- 36148995600
- (1985) J. Chem. Phys , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

40
- 0011083499
- (1988) Chem. Rev , vol.88 , pp. 899
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

41
- 0003658588
- Plenum. New York
- (1988) The Structure of Small Molecules and Ions , pp. 227
- Weinhold, F.¹ Carpenter, J.E.²

42
- 40749094858
- (1974) Mol. Phys , vol.27 , pp. 789
- Ditchfield, R.¹

43
- 85008321715
- note

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