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Journal of Chemical Theory and Computation

Volumn 9, Issue 4, 2013, Pages 1909-1917

The influence of a presence of a heavy atom on 13C shielding constants in organomercury compounds and halogen derivatives

(3) Wodyński, Artur a Gryff Keller, Adam b Pecul, Magdalena a

a UNIVERSITY OF WARSAW (Poland)

b WARSAW UNIVERSITY OF TECHNOLOGY (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84876008297 PISSN: 15499618 EISSN: 15499626 Source Type: Journal
DOI: 10.1021/ct300921f Document Type: Article

Times cited : (25)

References (50)

1
- 3042640517
- Wiley-VCH: Weinheim, Germany.
- Kaupp, M.; Bühl, M.; Malkin, V. G. Calculation of NMR and EPR Parameters. Theory and Applications; Wiley-VCH: Weinheim, Germany, 2004.
- (2004) Calculation of NMR and EPR Parameters. Theory and Applications
- Kaupp, M.¹ Bühl, M.² Malkin, V.G.³

2
- 36149019699
- Ramsey, N. F. Phys. Rev. 1950, 77, 567-567
- (1950) Phys. Rev. , vol.77 , pp. 567-567
- Ramsey, N.F.¹

3
- 0043043738
- Ramsey, N. F. Phys. Rev. 1950, 78, 699-703
- (1950) Phys. Rev. , vol.78 , pp. 699-703
- Ramsey, N.F.¹

4
- 0001172092
- Ramsey, N. F. Phys. Rev. 1951, 83, 540-541
- (1951) Phys. Rev. , vol.83 , pp. 540-541
- Ramsey, N.F.¹

5
- 36149006326
- Ramsey, N. F. Phys. Rev. 1952, 86, 243-246
- (1952) Phys. Rev. , vol.86 , pp. 243-246
- Ramsey, N.F.¹

6
- 33645893222
- Saue, T. Adv. Quantum Chem. 2005, 48, 383-405
- (2005) Adv. Quantum Chem. , vol.48 , pp. 383-405
- Saue, T.¹

7
- 0000225348
- Pyykkö, P.; Görling, A.; Rösch, N. Mol. Phys. 1987, 61, 195
- (1987) Mol. Phys. , vol.61 , pp. 195
- Pyykkö, P.¹ Görling, A.² Rösch, N.³

8
- 0035156022
- Vaara, J.; Malkina, O. L.; Stoll, H.; Malkin, V. G.; Kaupp, M. J. Chem. Phys. 2001, 114, 61-71
- (2001) J. Chem. Phys. , vol.114 , pp. 61-71
- Vaara, J.¹ Malkina, O.L.² Stoll, H.³ Malkin, V.G.⁴ Kaupp, M.⁵

9
- 0000685315
- Kaupp, M.; Malkin, V. G.; Malkina, O. L.; Salahub, D. R. Chem. Phys. Lett. 1995, 235, 382-388
- (1995) Chem. Phys. Lett. , vol.235 , pp. 382-388
- Kaupp, M.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

10
- 0001055554
- Kaupp, M.; Malkina, O. L. J. Chem. Phys. 1998, 108, 3648-3659
- (1998) J. Chem. Phys. , vol.108 , pp. 3648-3659
- Kaupp, M.¹ Malkina, O.L.²

11
- 0001618299
- Berger, S.; Bock, W.; Frenking, G.; Jonas, V.; Mueller, F. J. Am. Chem. Soc. 1995, 117, 3820-3829
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 3820-3829
- Berger, S.¹ Bock, W.² Frenking, G.³ Jonas, V.⁴ Mueller, F.⁵

12
- 0000194181
- Kaupp, M. Chem.-Eur. J. 1996, 2, 348-358
- (1996) Chem. - Eur. J. , vol.2 , pp. 348-358
- Kaupp, M.¹

13
- 33745770836
- Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270-283
- (1985) J. Chem. Phys. , vol.82 , pp. 270-283
- Hay, P.J.¹ Wadt, W.R.²

14
- 0006073669
- Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284-298
- (1985) J. Chem. Phys. , vol.82 , pp. 284-298
- Wadt, W.R.¹ Hay, P.J.²

15
- 84944675147
- Bergner, A.; Dolg, M.; Küchle, W.; Stoll, H.; Preuß, H. Mol. Phys. 1993, 80, 1431-1441
- (1993) Mol. Phys. , vol.80 , pp. 1431-1441
- Bergner, A.¹ Dolg, M.² Küchle, W.³ Stoll, H.⁴ Preuß, H.⁵

16
- 11744322674
- Andrae, D.; Häussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123-141
- (1990) Theor. Chim. Acta , vol.77 , pp. 123-141
- Andrae, D.¹ Häussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

17
- 84855850794
- Häussermann, U.; Dolg, M.; Stoll, H.; Preuss, H.; Schwerdtfeger, P.; Pitzer, R. Mol. Phys. 1993, 78, 1211-1224
- (1993) Mol. Phys. , vol.78 , pp. 1211-1224
- Häussermann, U.¹ Dolg, M.² Stoll, H.³ Preuss, H.⁴ Schwerdtfeger, P.⁵ Pitzer, R.⁶

18
- 84859234524
- van Wüllen, C. J. Chem. Phys. 2012, 136, 114110
- (2012) J. Chem. Phys. , vol.136 , pp. 114110
- Van Wüllen, C.¹

19
- 14544269397
- Figgen, D.; Rauhut, G.; Dolg, M.; Stoll, H. Chem. Phys. 2005, 311, 227-244
- (2005) Chem. Phys. , vol.311 , pp. 227-244
- Figgen, D.¹ Rauhut, G.² Dolg, M.³ Stoll, H.⁴

20
- 14544273291
- Elsevier: Amsterdam
- Kaupp, M. Relativistic Electronic Structure Theory. Part 2. Applications; Elsevier: Amsterdam, 2004; p 552.
- (2004) Relativistic Electronic Structure Theory. Part 2. Applications , pp. 552
- Kaupp, M.¹

21
- 0031887727
- Kaupp, M.; Malkina, O. L.; Malkin, V. G.; Pyykkö, P. Chem.-Eur. J. 1998, 4, 118-126
- (1998) Chem. - Eur. J. , vol.4 , pp. 118-126
- Kaupp, M.¹ Malkina, O.L.² Malkin, V.G.³ Pyykkö, P.⁴

22
- 84863653848
- Wodyński, A.; Repiský, M.; Pecul, M. J. Chem. Phys. 2012, 137, 014311
- (2012) J. Chem. Phys. , vol.137 , pp. 014311
- Wodyński, A.¹ Repiský, M.² Pecul, M.³

23
- 84875980605
- SDBSWeb, National Institute of Advanced Industrial Science and Technology.
- SDBSWeb, National Institute of Advanced Industrial Science and Technology. http://riodb01.ibase.aist.go.jp/sdbs/.

24
- 0011656224
- Wiberg, K. B.; Pratt, W. E.; Bailey, W. F. J. Org. Chem. 1980, 45, 4936-4947
- (1980) J. Org. Chem. , vol.45 , pp. 4936-4947
- Wiberg, K.B.¹ Pratt, W.E.² Bailey, W.F.³

25
- 0030538328
- Jackowski, K.; Gryff-Keller, A.; Sas, W.; Szczeciński, P. Pol. J. Chem. 1996, 70, 221-230
- (1996) Pol. J. Chem. , vol.70 , pp. 221-230
- Jackowski, K.¹ Gryff-Keller, A.² Sas, W.³ Szczeciński, P.⁴

26
- 49049140683
- Sebald, A.; Wrackmeyer, B. Spectrochim. Acta, Part A 1982, 38, 163-173
- (1982) Spectrochim. Acta, Part A , vol.38 , pp. 163-173
- Sebald, A.¹ Wrackmeyer, B.²

27
- 0042189324
- Michel, E.; Perie, J.; Lattes, A. J. Organomet. Chem. 1981, 204, 1-12
- (1981) J. Organomet. Chem. , vol.204 , pp. 1-12
- Michel, E.¹ Perie, J.² Lattes, A.³

28
- 37049105286
- Browning, J.; Goggin, P. L.; Goodfellow, R. J.; Hurst, N. W.; Mallinson, L. G.; Murray, M. J. Chem. Soc., Dalton Trans. 1978, 872-876
- (1978) J. Chem. Soc., Dalton Trans. , pp. 872-876
- Browning, J.¹ Goggin, P.L.² Goodfellow, R.J.³ Hurst, N.W.⁴ Mallinson, L.G.⁵ Murray, M.⁶

29
- 36549093268
- Versluis, L.; Ziegler, T. J. Chem. Phys. 1988, 88, 322-328
- (1988) J. Chem. Phys. , vol.88 , pp. 322-328
- Versluis, L.¹ Ziegler, T.²

30
- 84875998827
- SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands.
- ADF2010; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands. http://www.scm.com.
- ADF2010

31
- 0000216001
- Vosko, S.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211
- (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
- Vosko, S.¹ Wilk, L.² Nusair, M.³

32
- 4243553426
- Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100
- (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

33
- 5944261746
- Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824
- (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

34
- 4043083704
- Erratum
- Erratum: Perdew, J. P. Phys. Rev. B 1986, 34, 7406
- (1986) Phys. Rev. B , vol.34 , pp. 7406
- Perdew, J.P.¹

35
- 0033465061
- Pye, C. C.; Ziegler, T. Theor. Chem. Acc. 1999, 101, 396-408
- (1999) Theor. Chem. Acc. , vol.101 , pp. 396-408
- Pye, C.C.¹ Ziegler, T.²

36
- 84961980743
- Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkin Trans. 2 1993, 799-805
- (1993) J. Chem. Soc., Perkin Trans. 2 , pp. 799-805
- Klamt, A.¹ Schüürmann, G.²

37
- 33751157086
- Klamt, A. J. Phys. Chem. 1995, 99, 2224-2235
- (1995) J. Phys. Chem. , vol.99 , pp. 2224-2235
- Klamt, A.¹

38
- 0030575967
- Klamt, A.; Jonas, V. J. Chem. Phys. 1996, 105, 9972-9981
- (1996) J. Chem. Phys. , vol.105 , pp. 9972-9981
- Klamt, A.¹ Jonas, V.²

39
- 84876006741
- version 3.1.0.
- Malkin, V. G.; Malkina, O. L.; M. Repiský; S. Komorovský; Malkin, I.; Malkin, E.; Arbuznikov, A. V.; Kaupp, M.;; Ruud, K. ReSpect program, version 3.1.0; 2011.
- (2011) ReSpect Program
- Malkin, V.G.¹ Malkina, O.L.² Repiský, M.³ Komorovský, S.⁴ Malkin, I.⁵ Malkin, E.⁶ Arbuznikov, A.V.⁷ Kaupp, M.⁸ Ruud, K.⁹

40
- 40849145721
- Komorovský, S.; Repiský, M.; Malkina, O.; Malkin, V. G.; Ondk, I. M.; Kaupp, M. J. Chem. Phys. 2008, 128, 104101-104115
- (2008) J. Chem. Phys. , vol.128 , pp. 104101-104115
- Komorovský, S.¹ Repiský, M.² Malkina, O.³ Malkin, V.G.⁴ Ondk, I.M.⁵ Kaupp, M.⁶

41
- 77951675060
- Komorovský, S.; Repisky, M.; Malkina, O. L.; Malkin, V. G. J. Chem. Phys. 2010, 132, 154101
- (2010) J. Chem. Phys. , vol.132 , pp. 154101
- Komorovský, S.¹ Repisky, M.² Malkina, O.L.³ Malkin, V.G.⁴

42
- 4243943295
- Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

43
- 0035935884
- Jensen, F. J. Chem. Phys. 2001, 115, 9113-9125
- (2001) J. Chem. Phys. , vol.115 , pp. 9113-9125
- Jensen, F.¹

44
- 0037154580
- Jensen, F. J. Chem. Phys. 2002, 116, 3502-3502
- (2002) J. Chem. Phys. , vol.116 , pp. 3502-3502
- Jensen, F.¹

45
- 11944260897
- Dyall, K. G. Theor. Chem. Acc. 2004, 112, 403-409
- (2004) Theor. Chem. Acc. , vol.112 , pp. 403-409
- Dyall, K.G.¹

46
- 0001475454
- Adamo, C.; Barone, V. J. Chem. Phys. 1999, 110, 6158-6170
- (1999) J. Chem. Phys. , vol.110 , pp. 6158-6170
- Adamo, C.¹ Barone, V.²

47
- 0038626673
- revision C.02; Gaussian, Inc. Wallingford, CT.
- Frisch, M. J. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
- (2004) Gaussian 03
- Frisch, M.J.¹

48
- 84876009193
- Unpublished report.
- Häussermann, U. Unpublished report, 1988.
- (1988)
- Häussermann, U.¹

49
- 84876006818
- Dalton2011, a molecular electronic structure program.
- Dalton2011, a molecular electronic structure program (2011). http://www.daltonprogram.org.
- (2011)

50
- 0000978687
- Ruud, K.; Astrand, P.-O.; Taylor, P. R. J. Chem. Phys. 2000, 112, 2668-2683
- (2000) J. Chem. Phys. , vol.112 , pp. 2668-2683
- Ruud, K.¹ Astrand, P.-O.² Taylor, P.R.³

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