SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 32, Issue 15, 2011, Pages 3207-3217

New insights in quantum chemical topology studies using numerical grid-based analyses

(2) Kozlowski, David a,c Pilmé, Julien b,c

a UNIVERSITÉ DE LYON (France)

b SORBONNE UNIVERSITÉ (France)

c DIF (France)

Author keywords

bonding analysis; ELF; MEP; QCT; QTAIM; topological analysis; VASP

Indexed keywords

BONDING ANALYSIS; ELF; MEP; QCT; QTAIM; TOPOLOGICAL ANALYSIS; VASP;

ALGORITHMS; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRIC FURNACES; ELECTRON DENSITY MEASUREMENT; ELECTRONS; QUANTUM CHEMISTRY; TOPOLOGY;

CHEMICAL ANALYSIS;

EID: 80053205299 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.21903 Document Type: Article

Times cited : (50)

References (80)

1
- 0000393496
- S. Noury, X. Krokidis, F. Fuster, B. Silvi, Comp Chem 1999, 23, 597.
- (1999) Comp Chem , vol.23 , pp. 597
- Noury, S.¹ Krokidis, X.² Fuster, F.³ Silvi, B.⁴

2
- 0030083713
- P. L. A. Popelier, Comp Phys Commun 1996, 93, 212.
- (1996) Comp Phys Commun , vol.93 , pp. 212
- Popelier, P.L.A.¹

3
- 25444474128
- Available at:. (accessed date June 2011)
- M. Kohout, Chemical Bonding Analysis in Direct Space 2002. Available at: http://www.cpfs.mpg.de/ELF. (accessed date June 2011).
- (2002) Chemical Bonding Analysis in Direct Space
- Kohout, M.¹

4
- 0035871851
- F. Biegler-König, J. Schönbohm, D. Bayles, J Comput Chem 2001, 22, 545.
- (2001) J Comput Chem , vol.22 , pp. 545
- Biegler-König, F.¹ Schönbohm, J.² Bayles, D.³

5
- 56649114375
- M. A. Otero-de-la-Roza, A. Blanco, M. Pendás, V. Luaña, Comp Phys Commun 2009, 180, 157.
- (2009) Comp Phys Commun , vol.180 , pp. 157
- Otero-De-La-Roza, M.A.¹ Blanco, A.² Pendás, M.³ Luaña, V.⁴

6
- 0004157499
- Oxford University Press: Oxford.
- R. F. W. Bader, Atoms in Molecules: A Quantum Theory; Oxford University Press: Oxford, 1990.
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

7
- 0004201016
- Oxford University Press: Oxford.
- R. J. Gillespie, P. L. A. Popelier, Chemical Bonding and Molecular Geometry; Oxford University Press: Oxford, 2000.
- (2000) Chemical Bonding and Molecular Geometry
- Gillespie, R.J.¹ Popelier, P.L.A.²

8
- 0027946619
- B. Silvi, A. Savin, Nature 1994, 371, 683.
- (1994) Nature , vol.371 , pp. 683
- Silvi, B.¹ Savin, A.²

9
- 67649770453
- P. L. A. Popelier, E. A. G. Brémond, Int J Quant Chem 2009, 109, 2542.
- (2009) Int J Quant Chem , vol.109 , pp. 2542
- Popelier, P.L.A.¹ Brémond, E.A.G.²

10
- 77951096477
- B. de Courcy, L. G. Pedersen, O. Parisel, N. Gresh, B. Silvi, J. Pilmé, J.-P. Piquemal, J Chem Theory Comput 2010, 6, 1048.
- (2010) J Chem Theory Comput , vol.6 , pp. 1048
- De Courcy, B.¹ Pedersen, L.G.² Parisel, O.³ Gresh, N.⁴ Silvi, B.⁵ Pilmé, J.⁶ Piquemal, J.-P.⁷

11
- 34547351409
- J. Pilmé, H. Bertoumieux, V. Robert, P. Fleurat-Lessard, Chem Eur J 2007, 13, 19, 5388.
- (2007) Chem Eur J , vol.13 , Issue.19 , pp. 5388
- Pilmé, J.¹ Bertoumieux, H.² Robert, V.³ Fleurat-Lessard, P.⁴

12
- 79952504004
- A. de la Lande, D. R. Salahub, J. Maddaluno, A. Scemama, J. Pilmé, O. Parisel, H. Gérard, M. Caffarel, J.-P. Piquemal, J Comput Chem 2010, 32, 1178.
- (2010) J Comput Chem , vol.32 , pp. 1178
- De La Lande, A.¹ Salahub, D.R.² Maddaluno, J.³ Scemama, A.⁴ Pilmé, J.⁵ Parisel, O.⁶ Gérard, H.⁷ Caffarel, M.⁸ Piquemal, J.-P.⁹

13
- 33846434468
- S. Berski, J. Andrés, B. Silvi, L. R. Domingo, J Phys Chem A 2006, 110, 13939.
- (2006) J Phys Chem A , vol.110 , pp. 13939
- Berski, S.¹ Andrés, J.² Silvi, B.³ Domingo, L.R.⁴

14
- 27744481399
- J. Poater, M. Duran, M. Solà, B. Silvi, Chem Rev 2005, 105, 3911.
- (2005) Chem Rev , vol.105 , pp. 3911
- Poater, J.¹ Duran, M.² Solà, M.³ Silvi, B.⁴

15
- 77955810830
- F. Pauzat, J. Pilmé, J. Toulouse, Y. Ellinger, F. Salama, J Chem Phys 2010, 133, 054301.
- (2010) J Chem Phys , vol.133 , pp. 054301
- Pauzat, F.¹ Pilmé, J.² Toulouse, J.³ Ellinger, Y.⁴ Salama, F.⁵

16
- 77955859630
- P. Rivera-Fuentes, J. L. Aonso-Gomez, A. G. Petrovic, P. Seiler, F. Santoro, N. Harada, N. Berova, H. S. Rzepa, F. Diederich, Chem Eur J 2010, 16, 9796.
- (2010) Chem Eur J , vol.16 , pp. 9796
- Rivera-Fuentes, P.¹ Aonso-Gomez, J.L.² Petrovic, A.G.³ Seiler, P.⁴ Santoro, F.⁵ Harada, N.⁶ Berova, N.⁷ Rzepa, H.S.⁸ Diederich, F.⁹

17
- 36549100412
- A. D. Becke, K. E. Edgecombe, J Chem Phys 1990, 92, 5397.
- (1990) J Chem Phys , vol.92 , pp. 5397
- Becke, A.D.¹ Edgecombe, K.E.²

18
- 0000370497
- A. Savin, R. Nesper, S. Wengert, T. F. Fässler, Angew Chem Int Ed Engl 1997, 36, 1809.
- (1997) Angew Chem Int Ed Engl , vol.36 , pp. 1809
- Savin, A.¹ Nesper, R.² Wengert, S.³ Fässler, T.F.⁴

19
- 0038680328
- B. Silvi, J Phys Chem A 2003, 107, 3081.
- (2003) J Phys Chem A , vol.107 , pp. 3081
- Silvi, B.¹

20
- 33746061661
- E. Matito, B. Silvi, M. Duran, M. Solà, J Chem Phys 2006, 125, 24301.
- (2006) J Chem Phys , vol.125 , pp. 24301
- Matito, E.¹ Silvi, B.² Duran, M.³ Solà, M.⁴

21
- 77956570476
- F. Feixas, E. Matito, M. Duran, M. Sola, B. Silvi, J Chem Theory Comput 2010, 6, 2736.
- (2010) J Chem Theory Comput , vol.6 , pp. 2736
- Feixas, F.¹ Matito, E.² Duran, M.³ Sola, M.⁴ Silvi, B.⁵

22
- 0001285596
- P. L. A. Popelier, Theor Chim Acta 1994, 87, 465.
- (1994) Theor Chim Acta , vol.87 , pp. 465
- Popelier, P.L.A.¹

23
- 0001352517
- P. L. A. Popelier, Chem Phys Lett 1994, 228, 160.
- (1994) Chem Phys Lett , vol.228 , pp. 160
- Popelier, P.L.A.¹

24
- 0001660948
- P. L. A. Popelier, Comp Phys Commun 1998, 108, 180.
- (1998) Comp Phys Commun , vol.108 , pp. 180
- Popelier, P.L.A.¹

25
- 0037339963
- N. O. J. Malcolm, P. L. A. Popelier, J Comput Chem 2003, 24, 437.
- (2003) J Comput Chem , vol.24 , pp. 437
- Malcolm, N.O.J.¹ Popelier, P.L.A.²

26
- 0007407049
- B. P. Uberuaga, E. R. Batista, H. Jõnsson, J Chem Phys 1999, 111, 10664.
- (1999) J Chem Phys , vol.111 , pp. 10664
- Uberuaga, B.P.¹ Batista, E.R.² Jõnsson, H.³

27
- 65949105091
- J. I. Rodríguez, A. M. Köster, P. W. Ayers, A. Santos-Valle, A. Vela, G. Merino, J Comput Chem 2009, 30, 1082.
- (2009) J Comput Chem , vol.30 , pp. 1082
- Rodríguez, J.I.¹ Köster, A.M.² Ayers, P.W.³ Santos-Valle, A.⁴ Vela, A.⁵ Merino, G.⁶

28
- 62949165686
- J. I. Rodríguez, R. F. W. Bader, P. W. Ayers, C. Michel, A. W. Götz, C. Bo, Chem Phys Lett 2009, 472, 149.
- (2009) Chem Phys Lett , vol.472 , pp. 149
- Rodríguez, J.I.¹ Bader, R.F.W.² Ayers, P.W.³ Michel, C.⁴ Götz, A.W.⁵ Bo, C.⁶

29
- 33745166359
- G. Henkelman, A. Arnaldsson, H. Jõnsson, Comput Mater Sci 2006, 36, 254.
- (2006) Comput Mater Sci , vol.36 , pp. 254
- Henkelman, G.¹ Arnaldsson, A.² Jõnsson, H.³

30
- 33947658923
- E. Sanville, S. D. Kenny, R. Smith, G. Henkelman, J Comp Chem 2007, 28, 899.
- (2007) J Comp Chem , vol.28 , pp. 899
- Sanville, E.¹ Kenny, S.D.² Smith, R.³ Henkelman, G.⁴

31
- 65449183764
- W. Tang, E. Sanville, G. Henkelman, J Phys Condens Matter 2009, 21, 084204.
- (2009) J Phys Condens Matter , vol.21 , pp. 084204
- Tang, W.¹ Sanville, E.² Henkelman, G.³

32
- 21144440757
- B. Silvi, I. Fourre, M. E. Alikhani, Monatsh Chem 2005, 136, 855.
- (2005) Monatsh Chem , vol.136 , pp. 855
- Silvi, B.¹ Fourre, I.² Alikhani, M.E.³

33
- 78651076146
- J. Contreras-Garcia, J. M. Recio, J Phys Chem C 2011, 115, 257.
- (2011) J Phys Chem C , vol.115 , pp. 257
- Contreras-Garcia, J.¹ Recio, J.M.²

34
- 85056020071
- J.-P. Piquemal, J. Pilmé, O. Parisel, H. Gérard, I. Fourré, J. Bergès, C. Gourlaouen, A. de la Lande, M. C. van Severen, B. Silvi, Int J Quantum Chem 2008, 108, 195.
- (2008) Int J Quantum Chem , vol.108 , pp. 195
- Piquemal, J.-P.¹ Pilmé, J.² Parisel, O.³ Gérard, H.⁴ Fourré, I.⁵ Bergès, J.⁶ Gourlaouen, C.⁷ De La Lande, A.⁸ Van Severen, M.C.⁹ Silvi, B.¹⁰

35
- 77954430054
- In; N. D. R. Russo, Salahub, M. Witko, Eds.; Kluwer, Dordrecht: NATO ASI Sciences Series: II: Mathematics, Physics and Chemistry
- B. Silvi, J. Pilmé, F. Fuster, E. A. Alikhani,In Metal-Ligand Interactions: Molecular-,Nano-Micro-Systems in Complex Environments;, N. D. R. Russo, Salahub, M., Witko, Eds.; Kluwer, Dordrecht: NATO ASI Sciences Series: II: Mathematics, Physics and Chemistry, 2003, Vol. 116, pp. 241-284.
- (2003) Metal-Ligand Interactions: Molecular-,Nano-Micro-Systems in Complex Environments , vol.116 , pp. 241-284
- Silvi, B.¹ Pilmé, J.² Fuster, F.³ Alikhani, E.A.⁴

36
- 77956570476
- F. Feixas, E. Matito, M. Duran, M. Sola, B. Silvi, J Chem Theory Comput 2010, 6, 2736.
- (2010) J Chem Theory Comput , vol.6 , pp. 2736
- Feixas, F.¹ Matito, E.² Duran, M.³ Sola, M.⁴ Silvi, B.⁵

37
- 0038680328
- B. Silvi, J Phys Chem A 2003, 107, 3081.
- (2003) J Phys Chem A , vol.107 , pp. 3081
- Silvi, B.¹

38
- 0037009306
- B. Silvi, J Mol Struct 2002, 614, 3.
- (2002) J Mol Struct , vol.614 , pp. 3
- Silvi, B.¹

39
- 0346351954
- R. J. Gillespie, R. S. Nyholm, Q Rev Chem Soc 1957, 11, 339.
- (1957) Q Rev Chem Soc , vol.11 , pp. 339
- Gillespie, R.J.¹ Nyholm, R.S.²

40
- 0004142591
- London: Van Nostrand Reinhold.
- R. J. Gillespie, Molecular Geometry; London: Van Nostrand Reinhold, 1972.
- (1972) Molecular Geometry
- Gillespie, R.J.¹

41
- 33947290885
- P. M. Bedall, P. E. Cade, J Am Chem Soc 1971, 93, 3095.
- (1971) J Am Chem Soc , vol.93 , pp. 3095
- Bedall, P.M.¹ Cade, P.E.²

42
- 0000352943
- R. F. W. Bader, A. Larouche, C. Gatti, M. T. Caroll, P. J. Dougall, K. B. Wiberg, J Chem Phys 1987, 87, 1142.
- (1987) J Chem Phys , vol.87 , pp. 1142
- Bader, R.F.W.¹ Larouche, A.² Gatti, C.³ Caroll, M.T.⁴ Dougall, P.J.⁵ Wiberg, K.B.⁶

43
- 44449112766
- J. Pilmé, J.-P. Piquemal, J Comput Chem 2008, 29, 1440.
- (2008) J Comput Chem , vol.29 , pp. 1440
- Pilmé, J.¹ Piquemal, J.-P.²

44
- 80053200285
- (accessed date June 2011)
- P. Kenneth, Esler, Jr., Spline libraries and documentation can be found at. (accessed date June 2011).
- Spline Libraries and Documentation Can Be Found at
- Kenneth Jr., P.E.¹

45
- 0000189651
- A. D. Becke, J Chem Phys 1993, 98, 5648.
- (1993) J Chem Phys , vol.98 , pp. 5648
- Becke, A.D.¹

46
- 0345491105
- C. Lee, W. Yang, R. G. Parr, Phys Rev B 1988, 37, 785.
- (1988) Phys Rev B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

48
- 43049141516
- Y. Zhao, D. G. Truhlar, Theor Chem Acc 2008, 120, 215.
- (2008) Theor Chem Acc , vol.120 , pp. 215
- Zhao, Y.¹ Truhlar, D.G.²

49
- 34247528531
- 35.
- A. Dkhissi, R. Blossey, Chem Phys Lett 2007, 439, 1-3, 35.
- (2007) Chem Phys Lett , vol.439 , pp. 1-3
- Dkhissi, A.¹ Blossey, R.²

50
- 33750559983
- S. Grimme, J Comp Chem 2006, 27, 1787.
- (2006) J Comp Chem , vol.27 , pp. 1787
- Grimme, S.¹

51
- 70350118987
- Wallingford, CT: Gaussian Inc.
- M. J. Frisch, Gaussian09, Rev. A.02; Wallingford, CT: Gaussian Inc., 2009.
- (2009) Gaussian09, Rev. A.02
- Frisch, M.J.¹

52
- 11744322674
- D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theor Chim Acta 1990, 77, 123.
- (1990) Theor Chim Acta , vol.77 , pp. 123
- Andrae, D.¹ Haeussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

53
- 27744460065
- G. Kresse, J. Hafner, Phys Rev B 1994, 49, 14251.
- (1994) Phys Rev B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

54
- 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.
- (1992) Phys Rev B , vol.46 , pp. 6671
- 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

55
- 25744460922
- P. E. Blöchl, Phys Rev B 1994, 50, 17953.
- (1994) Phys Rev B , vol.50 , pp. 17953
- Blöchl, P.E.¹

56
- 0004273229
- Manno, Switzerland: Swiss Center for Scientific Computing.
- P. Flukiger, H. P. Luthi, S. Portman, J. Weber, Molekel; Manno, Switzerland: Swiss Center for Scientific Computing, 2000-2002.
- Molekel , pp. 2000-2002
- Flukiger, P.¹ Luthi, H.P.² Portman, S.³ Weber, J.⁴

57
- 2442467894
- R. J. Gillespie, S. Noury, J. Pilmé, B. Silvi, Inorg Chem 2004, 43, 3248.
- (2004) Inorg Chem , vol.43 , pp. 3248
- Gillespie, R.J.¹ Noury, S.² Pilmé, J.³ Silvi, B.⁴

58
- 33846565844
- G. Frenking, C. Loschen, A. Krapp, S. Fau,;, S. H. Strauss, J Comput Chem 2006, 28, 117.
- (2006) J Comput Chem , vol.28 , pp. 117
- Frenking, G.¹ Loschen, C.² Krapp, A.³ Fau, S.⁴ Strauss, S.H.⁵

59
- 27344442748
- S. Shaik, D. Danovich, B. Silvi, D. L. Lauvergnat, P. C. Hiberty, Chem Eur J 2005, 11, 6358.
- (2005) Chem Eur J , vol.11 , pp. 6358
- Shaik, S.¹ Danovich, D.² Silvi, B.³ Lauvergnat, D.L.⁴ Hiberty, P.C.⁵

60
- 0043289941
- Y.-J. Kuan, S. B. Charnley, H.-C. Huang, ApJ 2003, 593, 848.
- (2003) ApJ , vol.593 , pp. 848
- Kuan, Y.-J.¹ Charnley, S.B.² Huang, H.-C.³

61
- 33846144382
- P. A. Jones, M. R. Cunningham, P. D. Godfrey, D. M. Cragg, MNRAS 2007, 374, 579.
- (2007) MNRAS , vol.374 , pp. 579
- Jones, P.A.¹ Cunningham, M.R.² Godfrey, P.D.³ Cragg, D.M.⁴

62
- 77956642778
- G. Marloie, M. Lattelais, F. Pauzat, Y. Ellinger, Interdiscip Sci Comput Life Sci 2010, 2, 48.
- (2010) Interdiscip Sci Comput Life Sci , vol.2 , pp. 48
- Marloie, G.¹ Lattelais, M.² Pauzat, F.³ Ellinger, Y.⁴

63
- 11744256643
- J. Tomasi, M. Persico, Chem Rev 1994, 94, 2027.
- (1994) Chem Rev , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

64
- 0000896975
- M. Kaupp, Angew Chem Int Ed Engl 2001, 40, 3534.
- (2001) Angew Chem Int Ed Engl , vol.40 , pp. 3534
- Kaupp, M.¹

65
- 36249011411
- J. M. Hermida-Ramõn, A. M. Graña, C. M. Estévez, Struct Chem 2007, 18, 649.
- (2007) Struct Chem , vol.18 , pp. 649
- Hermida-Ramõn, J.M.¹ Graña, A.M.² Estévez, C.M.³

66
- 80053219336
- D. Qi-Shi, L. Da-Peng, L. Peng-Jun, H. Ri-Bo, J Mol Graphics Modeling 2008, 27, 140.
- (2008) J Mol Graphics Modeling , vol.27 , pp. 140
- Qi-Shi, D.¹ Da-Peng, L.² Peng-Jun, L.³ Ri-Bo, H.⁴

67
- 80053178329
- 4]. The three structures were optimized
- 4]. The three structures were optimized.

68
- 77649338205
- P. Terleczky, L. Nyulászsian, Chem Phys Lett 2010, 488, 168.
- (2010) Chem Phys Lett , vol.488 , pp. 168
- Terleczky, P.¹ Nyulászsian, L.²

69
- 33745374559
- A. Savin, O. Jepsen, J. Flad, O. K. Andersen, H. Preuss, H. G. von Schnering, Angew Chem Int Ed Engl 1999, 31, 187.
- (1999) Angew Chem Int Ed Engl , vol.31 , pp. 187
- Savin, A.¹ Jepsen, O.² Flad, J.³ Andersen, O.K.⁴ Preuss, H.⁵ Von Schnering, H.G.⁶

70
- 78651076146
- J. Contreras-Garcia, J. M. Recio, J Phys Chem C 2011, 115, 257.
- (2011) J Phys Chem C , vol.115 , pp. 257
- Contreras-Garcia, J.¹ Recio, J.M.²

71
- 61449249784
- J. Contreras-Garcia, A. M. Pendas, J. M. Recio, B. Silvi, J Chem Theory Comput 2009, 5, 164.
- (2009) J Chem Theory Comput , vol.5 , pp. 164
- Contreras-Garcia, J.¹ Pendas, A.M.² Recio, J.M.³ Silvi, B.⁴

72
- 1642362482
- N. O. J. Malcolm, P. L. A. Popelier, Faraday Discuss 2003, 124, 353.
- (2003) Faraday Discuss , vol.124 , pp. 353
- Malcolm, N.O.J.¹ Popelier, P.L.A.²

73
- 0033833770
- P. L. A. Popelier, Coord Chem Rev 2000, 197, 169.
- (2000) Coord Chem Rev , vol.197 , pp. 169
- Popelier, P.L.A.¹

74
- 0001617479
- M. Leboeuf, A. M. Koster, K. Jug, D. R. Salahub, J Chem Phys 1999, 111, 4893.
- (1999) J Chem Phys , vol.111 , pp. 4893
- Leboeuf, M.¹ Koster, A.M.² Jug, K.³ Salahub, D.R.⁴

75
- 78649610999
- F. B. Sayyed, C. H. Suresh, S. R. Gadre, J Phys Chem A 2010, 114, 12330.
- (2010) J Phys Chem A , vol.114 , pp. 12330
- Sayyed, F.B.¹ Suresh, C.H.² Gadre, S.R.³

76
- 70449372104
- D. K. Roy, P. Balanarayan, S. R. Gadre, J Chem Sci 2009, 121, 815.
- (2009) J Chem Sci , vol.121 , pp. 815
- Roy, D.K.¹ Balanarayan, P.² Gadre, S.R.³

77
- 0343897922
- A. Martinez, P. Calaminici,;, A. M. Koster, et al. J Chem Phys 2001, 114, 819.
- (2001) J Chem Phys , vol.114 , pp. 819
- Calaminici, P.M.A.¹ Koster, A.M.²

78
- 12344336588
- C. Morell, A. Grand, A. Toro-Labbe, J Phys Chem A 2005, 109, 205.
- (2005) J Phys Chem A , vol.109 , pp. 205
- Morell, C.¹ Grand, A.² Toro-Labbe, A.³

79
- 79952590533
- A. Scemama, M. Caffarel, R. Chaudret, J.-P. Piquemal, J Chem Theory Comput 2011, 7, 618.
- (2011) J Chem Theory Comput , vol.7 , pp. 618
- Scemama, A.¹ Caffarel, M.² Chaudret, R.³ Piquemal, J.-P.⁴

80
- 80053208740
- CPMD, Available at:, Copyright IBM Corp 1990-2008, Copyright MPI fur Festkorperforschung Stuttgart 1997-2001. (accessed date June 2011)
- CPMD, Available at: http://www.cpmd.org/, Copyright IBM Corp 1990-2008, Copyright MPI fur Festkorperforschung Stuttgart 1997-2001. (accessed date June 2011).

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