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European Journal of Inorganic Chemistry

Volumn , Issue 6, 2002, Pages 1475-1483

DFT calculations of 99Ru chemical shifts with all-electron and effective core potential basis sets

(2) Bagno, Alessandro a Bonchio, Marcella a

a UNIVERSITY OF PADOVA (Italy)

Author keywords

Density functional calculations; Effective core potentials; NMR spectroscopy; Ruthenium

Indexed keywords

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RUTHENIUM; RUTHENIUM COMPOUNDS; SHIELDING;

CORE POTENTIAL BASIS SET; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; DFT METHOD; EFFECTIVE CORE POTENTIAL; ELECTRON BASIS SETS; ELECTRON-CORE POTENTIALS; NMR-SPECTROSCOPY; NUCLEAR SHIELDING; ORDERS OF MAGNITUDE;

DENSITY FUNCTIONAL THEORY;

RUTHENIUM COMPLEX;

ARTICLE; CALCULATION; CHEMICAL BOND; ELECTRON; GEOMETRY; PROTON NUCLEAR MAGNETIC RESONANCE; TECHNIQUE;

EID: 0036263041 PISSN: 14341948 EISSN: None Source Type: Journal
DOI: 10.1002/1099-0682(200206)2002:6<1475::aid-ejic1475>3.0.co;2-j Document Type: Article

Times cited : (34)

References (56)

1
- 0033414835
- (1999) Chem. Soc. Rev. , vol.28 , pp. 95
- Von Philipsborn, W.¹

2
- 0004099399
- Plenum, New York
- (1987) Multinuclear NMR
- Mason, J.¹

3
- 0004026782
- Elsevier, Amsterdam
- (1991) Transition Metal Nuclear Magnetic Resonance
- Pregosin, P.S.¹

4
- 0000584523
- (1999) Chem. Rev. , vol.99 , pp. 293
- Helgaker, T.¹ Jaszunski, M.² Ruud, K.³

5
- 0040346275
- (1996) Helv. Chim. Acta , vol.79 , pp. 742
- Bühl, M.¹ Malkina, O.L.² Malkin, V.G.³

6
- 0001906561
- (1996) Chem. Eur. J. , vol.2 , pp. 24
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

7
- 0031581972
- (1997) Chem. Phys. Lett. , vol.267 , pp. 251
- Bühl, M.¹

8
- 0002689474
- (1998) Chem. Phys. Lett. , vol.296 , pp. 93
- Malkina, O.L.¹ Schimmelpfennig, B.² Kaupp, M.³ Hess, B.A.⁴ Chandra, P.⁵ Wahlgren, U.⁶ Malkin, V.G.⁷

9
- 0030794888
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 8065
- Godbout, N.¹ Oldfield, E.²

10
- 0034650752
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 187
- Wilson, P.J.¹ Amos, R.D.² Handy, N.C.³

11
- 0001187303
- (1998) Chem. Phys. Lett. , vol.298 , pp. 113
- Adamo, C.¹ Barone, V.²

12
- 0034274685
- (2000) J. Phys. Chem. A , vol.104 , pp. 8244
- Schreckenbach, G.¹ Wolff, S.K.² Ziegler, T.³

13
- 0000577333
- (1978) Mol. Phys. , vol.36 , pp. 1025
- Ridard, J.¹ Levy, B.² Millie, Ph.³

14
- 0009271693
- (1995) J. Chem. Soc., Faraday Trans. , vol.91 , pp. 1735
- Moore, E.A.¹ Healy, A.²

15
- 0001280177
- (2000) Chem. Phys. Lett. , vol.317 , pp. 123
- Bagno, A.¹ Bonchio, M.²

16
- 4244076867
- (1998) Chem. Rev. , vol.98 , pp. 2599
- Naota, T.¹ Takaya, H.² Murahashi, S.³

17
- 33845378053
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 5790
- Groves, J.T.¹ Quinn, R.²

18
- 0032567191
- and references therein
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 11969
- Neumann, R.¹ Dahan, M.²

19
- 0003998388
- CRC Press, Boca Raton
- (1997) CRC Handbook of Chemistry and Physics, 77th ed.
- Lide, D.R.¹

20
- 0009283967
- (1982) J. Magn. Reson. , vol.46 , pp. 338
- Dykstra, R.W.¹ Harrison, A.M.²

21
- 0001019260
- (1983) Inorg. Chem. , vol.22 , pp. 532
- Brevard, C.¹ Granger, P.²

22
- 0001446752
- (1983) Inorg. Chem. , vol.22 , pp. 1488
- Steel, P.J.¹ Lahousse, F.² Lerner, D.³ Marzin, C.⁴

23
- 4444374890
- (1984) J. Chem. Soc., Chem. Commun. , pp. 302
- Bernhard, P.¹ Helm, L.² Rapaport, I.³ Ludi, A.⁴ Merbach, A.E.⁵

24
- 0000166152
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 312
- Bernhard, P.¹ Helm, L.² Ludi, A.³ Merbach, A.E.⁴

25
- 0002297473
- (1987) Nouv. J. Chim. , vol.11 , pp. 33
- Marzin, C.¹ Budde, F.² Steel, P.J.³ Lerner, D.⁴

26
- 0000729975
- (1999) Organometallics , vol.18 , pp. 5238
- Gaemers, S.¹ Van Slageren, J.² O'Connor, C.M.³ Vos, J.G.⁴ Hage, R.⁵ Elsevier, C.J.⁶

27
- 0032590087
- (1999) Magn. Reson. Chem. , vol.37 , pp. 25
- Gaemers, S.¹ Luyten, H.² Ernsting, J.M.³ Elsevier, C.J.⁴

28
- 0038748863
- (2000) Chem. Eur. J. , vol.6 , pp. 3272
- Bühl, M.¹ Gaemers, S.² Elsevier, C.J.³

29
- 0000250257
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 2932
- Rong, C.¹ Pope, M.T.²

30
- 0033967092
- (2000) Eur. J. Inorg. Chem. , pp. 17
- Bagno, A.¹ Bonchio, M.² Sartorel, A.³ Scorrano, G.⁴

31
- 84871585496
- (1987) J. Comput. Chem. , vol.8 , pp. 880
- Dobbs, K.D.¹ Hehre, W.J.²

32
- 0000918107
- (1990) Chem. Phys. Lett. , vol.175 , pp. 289
- Huzinaga, S.¹ Miguel, B.²

33
- 6244249865
- (1993) Chem. Phys. Lett. , vol.212 , pp. 260
- Huzinaga, S.¹ Klobukowski, M.²

34
- 0001470765
- (1992) Can. J. Chem. , vol.70 , pp. 560
- Godbout, N.¹ Salahub, D.R.² Andzelm, J.³ Wimmer, E.⁴

35
- 0034161859
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 943
- Ahlrichs, R.¹ May, K.²

36
- 85153029080
- note

37
- 33745770836
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

38
- 0006073669
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

39
- 27344448074
- (1985) J. Chem. Phys. , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

40
- 0005744966
- (1984) J. Chem. Phys. , vol.81 , pp. 6026
- Stevens, W.¹ Basch, H.² Krauss, J.³

41
- 0001218546
- and previous papers by the same group
- (1996) J. Chem. Phys. , vol.105 , pp. 1052
- Leininger, T.¹ Nicklass, A.² Stoll, H.³ Dolg, M.⁴ Schwerdtfeger, P.⁵

42
- 85153006782
- note

43
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

45
- 85152991192
- note

46
- 0002288420
- (1959) Acta Crystallogr. , vol.12 , pp. 28
- Hardgrove, G.L.¹ Templeton, D.H.²

47
- 0001650715
- (1980) Acta Crystallogr., Sect. B , vol.36 , pp. 2946
- Seiler, P.¹ Dunitz, J.D.²

48
- 85152992673
- note

49
- 33845278550
- (1998) Inorg. Chem. , vol.27 , pp. 4099
- Alessio, E.¹ Mestroni, G.² Nardin, G.³ Attia, W.M.⁴ Calligaris, M.⁵ Sara, G.⁶ Zorzet, S.⁷

50
- 0001038014
- (1979) J. Chem. Res. , pp. 350
- Barnes, J.R.¹ Goodfellow, R.J.²

51
- 37049112933
- (1982) J. Chem. Soc., Dalton Trans. , pp. 2429
- Heath, G.A.¹ Lindsay, A.J.² Stephenson, T.A.³

52
- 0004137616
- Wavefunction, Inc. 18401 Von Karman Ave Ste 370, Irvine, CA 92612, USA
- Spartan 5.1

53
- 0003113785
- and references therein
- (1999) Inorg. Chem. , vol.38 , pp. 2
- Rack, J.J.¹ Gray, H.B.²

54
- 85152985254
- note

55
- 0030361977
- (1996) Prog. Nucl. Magn. Reson. Spectr. , vol.29 , pp. 229
- De Dios, A.C.¹

56
- 85153011234
- manuscript in preparation
- Bagno, A.¹ Bonchio, M.² Sartorel, A.³ Scorrano, G.⁴

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