SCOPUS 정보 검색 플랫폼

Volumn 26, Issue 8, 2013, Pages 679-687

Four-component relativistic chemical shift calculations of halogenated organic compounds

(7) Demissie, Taye B a,b Repisky, Michal b Komorovsky, Stanislav b Isaksson, Johan b Svendsen, John S b Dodziuk, Helena a Ruud, Kenneth b

a INSTITUTE OF PHYSICAL CHEMISTRY (Poland)

b UNIVERSITY OF TROMSØ (Norway)

Author keywords

DFT; four component calculations; heavy elements; NMR

Indexed keywords

DFT; HALOGENATED ORGANIC COMPOUNDS; HEAVY ELEMENTS; NUCLEAR MAGNETIC RESONANCE(NMR); RELATIVISTIC CALCULATIONS; RELATIVISTIC DENSITY FUNCTIONAL THEORY; RELATIVISTIC FOUR-COMPONENT CALCULATIONS; STRUCTURAL CHARACTERIZATION;

CHEMICAL ELEMENTS; CHEMICAL SHIFT; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; RELATIVITY;

ATOMS;

EID: 84880283910 PISSN: 08943230 EISSN: 10991395 Source Type: Journal
DOI: 10.1002/poc.3157 Document Type: Article

Times cited : (20)

References (79)

1
- 67650487457
- J. Autschbach, S. Zheng, Ann Rep NMR Spectrosc 2009, 67, 1-95.
- (2009) Ann Rep NMR Spectrosc , vol.67 , pp. 1-95
- Autschbach, J.¹ Zheng, S.²

2
- 0003096451
- M. Buhl, M. Kaupp, O. L. Malkina, V. G. Malkin, J Comp Chem 1999, 20, 91-105.
- (1999) J Comp Chem , vol.20 , pp. 91-105
- Buhl, M.¹ Kaupp, M.² Malkina, O.L.³ Malkin, V.G.⁴

3
- 84855829723
- T. Helgaker, S. Coriani, P. Jørgensen, K. Kristensen, J. Olsen, K. Ruud, Chem Rev 2012, 112, 543-631.
- (2012) Chem Rev , vol.112 , pp. 543-631
- Helgaker, T.¹ Coriani, S.² Jørgensen, P.³ Kristensen, K.⁴ Olsen, J.⁵ Ruud, K.⁶

4
- 0000584523
- T. Helgaker, M. Jaszunski, K. Ruud, Chem Rev 1999, 99, 293-352.
- (1999) Chem Rev , vol.99 , pp. 293-352
- Helgaker, T.¹ Jaszunski, M.² Ruud, K.³

5
- 84856301655
- M. W. Lodewyk, M. R. Siebert, D. J. Tantillo, Chem Rev 2012, 112, 1839-1862.
- (2012) Chem Rev , vol.112 , pp. 1839-1862
- Lodewyk, M.W.¹ Siebert, M.R.² Tantillo, D.J.³

6
- 77649201023
- S. D. Micco, M. G. Chini, R. Riccio, G. Bifulco, Eur J Org Chem 2010, 8, 1411-1434.
- (2010) Eur J Org Chem , vol.8 , pp. 1411-1434
- Micco, S.D.¹ Chini, M.G.² Riccio, R.³ Bifulco, G.⁴

7
- 35248882387
- J. Vaara, Phys Chem Chem Phys 2007, 9, 5399-5418.
- (2007) Phys Chem Chem Phys , vol.9 , pp. 5399-5418
- Vaara, J.¹

8
- 0037439975
- R. Fukuda, M. Hada, H. Nakatsuji, J Chem Phys 2003, 118, 1027-1035.
- (2003) J Chem Phys , vol.118 , pp. 1027-1035
- Fukuda, R.¹ Hada, M.² Nakatsuji, H.³

9
- 57649188906
- S. Hamaya, H. Maeda, M. Funaki, H. Fukui, J Chem Phys 2008, 129, 224103.
- (2008) J Chem Phys , vol.129 , pp. 224103
- Hamaya, S.¹ Maeda, H.² Funaki, M.³ Fukui, H.⁴

10
- 0030592398
- V. G. Malkin, O. L. Malkina, D. R. Salahub, Chem Phys Lett 1996, 261, 335-345.
- (1996) Chem Phys Lett , vol.261 , pp. 335-345
- Malkin, V.G.¹ Malkina, O.L.² Salahub, D.R.³

11
- 0042012774
- P. Manninen, P. Lantto, J. Vaara, K. Ruud, J Chem Phys 2003, 119, 2623-2637.
- (2003) J Chem Phys , vol.119 , pp. 2623-2637
- Manninen, P.¹ Lantto, P.² Vaara, J.³ Ruud, K.⁴

12
- 18644361868
- P. Manninen, K. Ruud, P. Lantto, J. Vaara, J Chem Phys 2005, 122, 114107.
- (2005) J Chem Phys , vol.122 , pp. 114107
- Manninen, P.¹ Ruud, K.² Lantto, P.³ Vaara, J.⁴

13
- 7544231054
- J. I. Melo, M. C. R. d. Azua, C. G. Giribet, G. A. Aucar, P. F. Provasi, J Chem Phys 2004, 121, 6798-6808.
- (2004) J Chem Phys , vol.121 , pp. 6798-6808
- Melo, J.I.¹ Azua, M.C.R.D.² Giribet, C.G.³ Aucar, G.A.⁴ Provasi, P.F.⁵

14
- 0001124388
- G. Schreckenbach, T. Ziegler, Int J Quantum Chem 1997, 61, 899-918.
- (1997) Int J Quantum Chem , vol.61 , pp. 899-918
- Schreckenbach, G.¹ Ziegler, T.²

15
- 78049360083
- J. Seino, M. Hada, J Chem Phys 2010, 132, 174105.
- (2010) J Chem Phys , vol.132 , pp. 174105
- Seino, J.¹ Hada, M.²

16
- 69549091528
- Q. Sun, W. Liu, Y. Xiao, L. Cheng, J Chem Phys 2009, 131, 081101.
- (2009) J Chem Phys , vol.131 , pp. 081101
- Sun, Q.¹ Liu, W.² Xiao, Y.³ Cheng, L.⁴

17
- 0002646002
- J. Vaara, K. Ruud, O. Vahtras, J Comp Chem 1999, 20, 1314-1327.
- (1999) J Comp Chem , vol.20 , pp. 1314-1327
- Vaara, J.¹ Ruud, K.² Vahtras, O.³

18
- 0000204404
- S. K. Wolff, T. Ziegler, E. v. Lenthe, E. J. Baerends, J Chem Phys 1999, 110, 7689-7698.
- (1999) J Chem Phys , vol.110 , pp. 7689-7698
- Wolff, S.K.¹ Ziegler, T.² Lenthe, E.V.³ Baerends, E.J.⁴

19
- 84859234524
- C. v. Wüllen, J Chem Phys 2012, 136, 114110.
- (2012) J Chem Phys , vol.136 , pp. 114110
- Wüllen, C.V.¹

20
- 0037396741
- J. R. Yates, C. J. Pickard, M. C. Payne, F. Mauri, J Chem Phys 2003, 118, 5746-5753.
- (2003) J Chem Phys , vol.118 , pp. 5746-5753
- Yates, J.R.¹ Pickard, C.J.² Payne, M.C.³ Mauri, F.⁴

21
- 73649117468
- L. Cheng, Y. Xiao, W. Liu, J Chem Phys 2009, 131, 244113.
- (2009) J Chem Phys , vol.131 , pp. 244113
- Cheng, L.¹ Xiao, Y.² Liu, W.³

22
- 77953592165
- S. Hamaya, H. Fukui, Bull Chem Soc Jpn 2010, 83, 635-642.
- (2010) Bull Chem Soc Jpn , vol.83 , pp. 635-642
- Hamaya, S.¹ Fukui, H.²

23
- 70349626153
- M. Iliaš, T. Saue, T. Enevoldsen, H. J. Aa. Jensen, J Chem Phys 2009, 131, 124119.
- (2009) J Chem Phys , vol.131 , pp. 124119
- Iliaš, M.¹ Saue, T.² Enevoldsen, T.³ Jensen, H.J.Aa.⁴

24
- 0032579094
- Y. Ishikawa, T. Nakajima, M. Hada, H. Nakatsuji, Chem Phys Lett 1998, 283, 119-124.
- (1998) Chem Phys Lett , vol.283 , pp. 119-124
- Ishikawa, Y.¹ Nakajima, T.² Hada, M.³ Nakatsuji, H.⁴

25
- 77951675060
- S. Komorovsky, M. Repisky, O. L. Malkina, V. G. Malkin, J Chem Phys 2010, 132, 154101.
- (2010) J Chem Phys , vol.132 , pp. 154101
- Komorovsky, S.¹ Repisky, M.² Malkina, O.L.³ Malkin, V.G.⁴

26
- 40849145721
- S. Komorovsky, M. Repisky, O. L. Malkina, V. G. Malkin, I. M. Ondik, M. Kaupp, J Chem Phys 2008, 128, 104101.
- (2008) J Chem Phys , vol.128 , pp. 104101
- Komorovsky, S.¹ Repisky, M.² Malkina, O.L.³ Malkin, V.G.⁴ Ondik, I.M.⁵ Kaupp, M.⁶

27
- 84855533254
- M. Olejniczak, R. Bast, T. Saue, M. Pecul, J Chem Phys 2012, 136, 014108.
- (2012) J Chem Phys , vol.136 , pp. 014108
- Olejniczak, M.¹ Bast, R.² Saue, T.³ Pecul, M.⁴

28
- 0000743453
- H. M. Quiney, H. Skaane, I. P. Grant, Chem Phys Lett 1998, 290, 473-480.
- (1998) Chem Phys Lett , vol.290 , pp. 473-480
- Quiney, H.M.¹ Skaane, H.² Grant, I.P.³

29
- 0000280315
- L. Visscher, T. Enevoldsen, T. Saue, H. J. Aa. Jensen, J. Oddershede, J Comp Chem 1999, 20, 1262-1273.
- (1999) J Comp Chem , vol.20 , pp. 1262-1273
- Visscher, L.¹ Enevoldsen, T.² Saue, T.³ Jensen, H.J.Aa.⁴ Oddershede, J.⁵

30
- 33847651699
- Y. Xiao, D. Peng, W. Liu, J Chem Phys 2007, 126, 081101.
- (2007) J Chem Phys , vol.126 , pp. 081101
- Xiao, Y.¹ Peng, D.² Liu, W.³

31
- 0003420012
- in (Eds: D. M. Grant, Harris, R. K.), John Wiley & Sons, London
- A. M. Orendt, in Encyclopedia of Nuclear Magnetic Resonance (Eds:, D. M. Grant, Harris, R. K.,), John Wiley & Sons, London, 1996, pp. 1282-1297.
- (1996) Encyclopedia of Nuclear Magnetic Resonance , pp. 1282-1297
- Orendt, A.M.¹

32
- 14544293474
- T. H. Sefzik, D. Turco, R. J. Iuliucci, J. C. Facelli, J Phys Chem A 2005, 109, 1180-1187.
- (2005) J Phys Chem A , vol.109 , pp. 1180-1187
- Sefzik, T.H.¹ Turco, D.² Iuliucci, R.J.³ Facelli, J.C.⁴

33
- 0037804155
- A. A. Auer, J. F. Stanton, J. Gauss, J Chem Phys 2003, 118, 10407-10417.
- (2003) J Chem Phys , vol.118 , pp. 10407-10417
- Auer, A.A.¹ Stanton, J.F.² Gauss, J.³

34
- 46149110118
- M. E. Harding, M. Lenhart, A. A. Auer, J. Gauss, J Chem Phys 2008, 128, 244111.
- (2008) J Chem Phys , vol.128 , pp. 244111
- Harding, M.E.¹ Lenhart, M.² Auer, A.A.³ Gauss, J.⁴

35
- 0031887727
- M. Kaupp, O. L. Malkina, V. G. Malkin, P. Pyykko, 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 Pyykko, P.⁴

36
- 0000225348
- P. Pyykko, A. Gorling, N. Rosch, Mol Phys 1987, 61, 195-205.
- (1987) Mol Phys , vol.61 , pp. 195-205
- Pyykko, P.¹ Gorling, A.² Rosch, N.³

37
- 84855840055
- P. Pyykko, Annu Rev Phys Chem 2012, 63, 45-64.
- (2012) Annu Rev Phys Chem , vol.63 , pp. 45-64
- Pyykko, P.¹

38
- 84870543683
- K. Ø. Hanssen, B. Schuler, A. J. Williams, T. B. Demissie, E. Hansen, J. H. Andersen, J. Svenson, K. Blinov, M. Repisky, F. Mohn, G. Meyer, J.-S. Svendsen, K. Ruud, M. Elyashberg, L. Gross, M. Jaspars, J. Isaksson, Angew Chem Int Ed 2012, 51, 12238-12241.
- (2012) Angew Chem Int Ed , vol.51 , pp. 12238-12241
- Hanssen K.Ø¹ Schuler, B.² Williams, A.J.³ Demissie, T.B.⁴ Hansen, E.⁵ Andersen, J.H.⁶ Svenson, J.⁷ Blinov, K.⁸ Repisky, M.⁹ Mohn, F.¹⁰ Meyer, G.¹¹ Svendsen, J.-S.¹² Ruud, K.¹³ Elyashberg, M.¹⁴ Gross, L.¹⁵ Jaspars, M.¹⁶ Isaksson, J.¹⁷

39
- 84873416711
- E. Malkin, S. Komorovsky, M. Repisky, T. B. Demissie, K. Ruud, J Phys Chem Lett 2013, 4, 459-463.
- (2013) J Phys Chem Lett , vol.4 , pp. 459-463
- Malkin, E.¹ Komorovsky, S.² Repisky, M.³ Demissie, T.B.⁴ Ruud, K.⁵

40
- 42249103259
- K. A. Blinov, Y. D. Smurnyy, M. E. Elyashberg, T. S. Churanova, M. P. Kvasha, C. Steinbeck, B. A. Lefebvre, A. J. Williams, J Chem Inf Model 2008, 48, 550-555.
- (2008) J Chem Inf Model , vol.48 , pp. 550-555
- Blinov, K.A.¹ Smurnyy, Y.D.² Elyashberg, M.E.³ Churanova, T.S.⁴ Kvasha, M.P.⁵ Steinbeck, C.⁶ Lefebvre, B.A.⁷ Williams, A.J.⁸

41
- 39449117752
- Y. D. Smurnyy, K. A. Blinov, T. S. Churanova, M. E. Elyashberg, A. J. Williams, J Chem Inf Model 2008, 48, 128-134.
- (2008) J Chem Inf Model , vol.48 , pp. 128-134
- Smurnyy, Y.D.¹ Blinov, K.A.² Churanova, T.S.³ Elyashberg, M.E.⁴ Williams, A.J.⁵

42
- 0000429874
- S. E. Stein, J Am Soc Mass Spectrom 1995, 6, 644-655.
- (1995) J Am Soc Mass Spectrom , vol.6 , pp. 644-655
- Stein, S.E.¹

43
- 0003568606
- Ph.D. Thesis thesis, Oregon StateUniversity (Corvallis, Oregon)
- D. Wettschereck, A study of distance-based machine learning algorithms. Ph.D. Thesis thesis, Oregon StateUniversity (Corvallis, Oregon), 1994.
- (1994) A Study of Distance-based Machine Learning Algorithms
- Wettschereck, D.¹

44
- 79958124048
- P. Schwerdtfeger, B. Assadollahzadeh, U. Rohrmann, R. Schäfer, J. R. Cheeseman, J Chem Phys 2011, 134, 204102.
- (2011) J Chem Phys , vol.134 , pp. 204102
- Schwerdtfeger, P.¹ Assadollahzadeh, B.² Rohrmann, U.³ Schäfer, R.⁴ Cheeseman, J.R.⁵

45
- 84863698490
- P. Schwerdtfeger, C. v. Wüllen, J. R. Cheeseman, J Chem Phys 2012, 137, 014107.
- (2012) J Chem Phys , vol.137 , pp. 014107
- Schwerdtfeger, P.¹ Wüllen, C.V.² Cheeseman, J.R.³

46
- 79958108808
- P. Hrobárik, V. Hrobáriková, F. Meier, M. Repiský, S. Komorovský, M. Kaupp, J Phys Chem A 2011, 115, 5654-5659.
- (2011) J Phys Chem A , vol.115 , pp. 5654-5659
- Hrobárik, P.¹ Hrobáriková, V.² Meier, F.³ Repiský, M.⁴ Komorovský, S.⁵ Kaupp, M.⁶

47
- 84880295580
- relativistic spectroscopy DFT program of authors M. Repisky, S. Komorovsky, V. G. Malkin, O. L. Malkina, K. Ruud, M. Kaupp, with contributions from A. V. Arbuznikov, R. Bast, U. Ekstrom, I. Malkin, E. Malkin
- ReSpect, version 3.2, 2012; relativistic spectroscopy DFT program of authors M. Repisky, S. Komorovsky, V. G. Malkin, O. L. Malkina, K. Ruud, M. Kaupp, with contributions from A. V. Arbuznikov, R. Bast, U. Ekstrom, I. Malkin, E. Malkin.
- (2012) ReSpect, Version 3.2

49
- 84872707641
- A. M. Teale, O. B. Lutnæs, T. Helgaker, D. J. Tozer, J. Gauss, J Chem Phys 2013, 138, 024111.
- (2013) J Chem Phys , vol.138 , pp. 024111
- Teale, A.M.¹ Lutnæs, O.B.² Helgaker, T.³ Tozer, D.J.⁴ Gauss, J.⁵

50
- 13844312649
- J. J. Irwin, B. K. Shoichet, J Chem Inf Mod 2004, 45, 177-182.
- (2004) J Chem Inf Mod , vol.45 , pp. 177-182
- Irwin, J.J.¹ Shoichet, B.K.²

51
- 79952516855
- J. Overington, J Comput Aided Mol Des 2009, 23, 195-198.
- (2009) J Comput Aided Mol des , vol.23 , pp. 195-198
- Overington, J.¹

52
- 54949108677
- E. E. Bolton, Annu Rep Comput Chem 2008, 4, 217-241
- (2008) Annu Rep Comput Chem , vol.4 , pp. 217-241
- Bolton, E.E.¹

53
- 0033524876
- E. Vedejs, L. M. Luchetta, J Org Chem 1999, 64, 1011-1014.
- (1999) J Org Chem , vol.64 , pp. 1011-1014
- Vedejs, E.¹ Luchetta, L.M.²

54
- 84861324363
- N. P. Tale, A. V. Shelke, G. B. Tiwari, P. B. Thorat, N. N. Karade, Helv Chim Act 2012, 95, 852-857.
- (2012) Helv Chim Act , vol.95 , pp. 852-857
- Tale, N.P.¹ Shelke, A.V.² Tiwari, G.B.³ Thorat, P.B.⁴ Karade, N.N.⁵

55
- 0034625388
- M. a. J. Ortega, E. Zubia, J. M. Ocaña, S. Naranjo, J. Salvá, Tetrahedron 2000, 56, 3963-3967.
- (2000) Tetrahedron , vol.56 , pp. 3963-3967
- Ortega, M.A.J.¹ Zubia, E.² Ocaña, J.M.³ Naranjo, S.⁴ Salvá, J.⁵

56
- 59349084689
- M. Repisky, S. Komorovsky, O. L. Malkina, V. G. Malkin, Chem Phys 2009, 356 236-242.
- (2009) Chem Phys , vol.356 , pp. 236-242
- Repisky, M.¹ Komorovsky, S.² Malkina, O.L.³ Malkin, V.G.⁴

57
- 40849145721
- S. Komorovský, M. Repiský, O. L. Malkina, V. G. Malkin, I. M. Ondík, M. Kaupp, J Chem Phys 2008, 128, 104101.
- (2008) J Chem Phys , vol.128 , pp. 104101
- Komorovský, S.¹ Repiský, M.² Malkina, O.L.³ Malkin, V.G.⁴ Ondík, I.M.⁵ Kaupp, M.⁶

58
- 0037440809
- J. Vaara, P. Pyykkö, J Chem Phys 2003, 118, 2973-2976.
- (2003) J Chem Phys , vol.118 , pp. 2973-2976
- Vaara, J.¹ Pyykkö, P.²

59
- 0031320413
- L. Visscher, Theor Chem Acc 1997, 98, 68-70.
- (1997) Theor Chem Acc , vol.98 , pp. 68-70
- Visscher, L.¹

60
- 55849117399
- J.-D. Chai, M. Head-Gordon, Phys Chem Chem Phys 2008, 10, 6615-6620.
- (2008) Phys Chem Chem Phys , vol.10 , pp. 6615-6620
- Chai, J.-D.¹ Head-Gordon, M.²

61
- 26844534384
- R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, J Chem Phys 1980, 72, 650-654.
- (1980) J Chem Phys , vol.72 , pp. 650-654
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

62
- 36448999570
- L. A. Curtiss, M. P. McGrath, J.-P. Blaudeau, N. E. Davis, J. Robert, C. Binning, L. Radom, J Chem Phys 1995, 103, 6104.
- (1995) J Chem Phys , vol.103 , pp. 6104
- Curtiss, L.A.¹ McGrath, M.P.² Blaudeau, J.-P.³ Davis, N.E.⁴ Robert, J.⁵ Binning, C.⁶ Radom, L.⁷

63
- 84961980477
- J. M. B. Tomasi, R. Cammi, Chem Rev 2005, 105, 2999-3093.
- (2005) Chem Rev , vol.105 , pp. 2999-3093
- Tomasi, J.M.B.¹ Cammi, R.²

64
- 4243943295
- J. P. Perdew, K. Burke, M. Ernzerhof, 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

65
- 4944232881
- J. P. Perdew, K. Burke, M. Ernzerhof, Phys Rev Lett 1997, 78, 1396-1396.
- (1997) Phys Rev Lett , vol.78 , pp. 1396-1396
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

66
- 0003685941
- McGraw-Hill, New York
- J. C. Slater, The Self-Consistent Field for Molecular and Solids, Quantum Theory of Molecular and Solids, Vol. 4, McGraw-Hill, New York, 1974.
- (1974) The Self-Consistent Field for Molecular and Solids, Quantum Theory of Molecular and Solids , vol.4
- Slater, J.C.¹

67
- 0000216001
- S. H. Vosko, L. Wilk, M. Nusair, Can J Phys 1980, 58, 1200-1211.
- (1980) Can J Phys , vol.58 , pp. 1200-1211
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

68
- 4243553426
- A. D. Becke, Phys Rev A 1988, 38, 3098-3100.
- (1988) Phys Rev A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

69
- 5944261746
- J. P. Perdew, Phys Rev B 1986, 33, 8822-8824.
- (1986) Phys Rev B , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

70
- 0003754095
- in (Eds.: P. Ziesche, H. Eschrig), Akademie Verlag, Berlin
- J. P. Perdew, in Electronic Structure of Solids '91 (Eds.:, P. Ziesche, H. Eschrig,), Akademie Verlag, Berlin, 1991.
- (1991) Electronic Structure of Solids '91
- Perdew, J.P.¹

71
- 2842565972
- J. P. Perdew, K. Burke, Y. Wang, Phys Rev B 1996, 54, 16533-16539.
- (1996) Phys Rev B , vol.54 , pp. 16533-16539
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

72
- 23244460838
- J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys Rev B 1992, 46, 6671-6687.
- (1992) Phys Rev B , vol.46 , pp. 6671-6687
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

73
- 0035935884
- F. Jensen, J Chem Phys 2001, 115, 9113-9125.
- (2001) J Chem Phys , vol.115 , pp. 9113-9125
- Jensen, F.¹

74
- 0037154580
- F. Jensen, J Chem Phys 2002, 116, 3502-3502.
- (2002) J Chem Phys , vol.116 , pp. 3502-3502
- Jensen, F.¹

75
- 33947499039
- K. Dyall, Theo ChimAct 2007, 117, 483-489.
- (2007) Theo ChimAct , vol.117 , pp. 483-489
- Dyall, K.¹

76
- 0000189651
- A. D. Becke, J Chem Phys 1993, 98, 5648-5652.
- (1993) J Chem Phys , vol.98 , pp. 5648-5652
- Becke, A.D.¹

77
- 0345491105
- C. Lee, W. Yang, R. G. Parr, Phys Rev B 1988, 37, 785-789.
- (1988) Phys Rev B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

78
- 49749143042
- U. Benedikt, A. A. Auer, F. Jensen, J Chem Phys 2008, 129, 064111.
- (2008) J Chem Phys , vol.129 , pp. 064111
- Benedikt, U.¹ Auer, A.A.² Jensen, F.³

79
- 84880319735
- Mnova NMR
- Mnova NMR, http://mestrelab.com/software/mnova-nmr/.

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