SCOPUS 정보 검색 플랫폼

International Journal of Quantum Chemistry

Volumn 115, Issue 3, 2015, Pages 107-136

Application of quantum calculations in the chemical industry - An overview

(3) Deglmann, Peter a Schäfer, Ansgar a Lennartz, Christian a

a BASF SE (Germany)

Author keywords

Application; Catalysis; Chemical industry; OLED

Indexed keywords

APPLICATIONS; CATALYSIS; CHEMICAL INDUSTRY; COMPUTATION THEORY; COMPUTER HARDWARE; QUANTUM CHEMISTRY; REACTION KINETICS; THERMODYNAMICS;

CHEMICAL COMPANIES; CHEMICAL RESEARCH; ELECTRONICALLY EXCITED STATE; OLED; QUANTUM CALCULATION; QUANTUM CHEMICAL MODELING; REACTION THERMODYNAMICS; REAL-WORLD PROBLEM;

DENSITY FUNCTIONAL THEORY;

EID: 84919354791 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24811 Document Type: Review

Times cited : (108)

References (223)

1
- 0024621668
- (a) J. Bicerano, Macromolecules 1989, 22, 1413;
- (1989) Macromolecules , vol.22 , pp. 1413
- Bicerano, J.¹

2
- 0026355086
- (b) G. Schüürmann, Sci. Total Environ. 1991, 109, 221;
- (1991) Sci. Total Environ. , vol.109 , pp. 221
- Schüürmann, G.¹

3
- 0642316743
- (c) Y. Mori, H. Nakanishi, B. Hilti, C. W. Mayer, G. Rihs, J. Appl. Phys. 1991, 69, 1475;
- (1991) J. Appl. Phys. , vol.69 , pp. 1475
- Mori, Y.¹ Nakanishi, H.² Hilti, B.³ Mayer, C.W.⁴ Rihs, G.⁵

4
- 84919326960
- (d) B. Coussens, K. Pierloot, R. J. Meier, THEOCHEM 1992, 91, 331;
- (1992) Theochem , vol.91 , pp. 331
- Coussens, B.¹ Pierloot, K.² Meier, R.J.³

5
- 0013577711
- (e) G. Steiner, R. Munschauer, G. Klebe, L. Siggel, Heterocycles 1995, 40, 319.
- (1995) Heterocycles , vol.40 , pp. 319
- Steiner, G.¹ Munschauer, R.² Klebe, G.³ Siggel, L.⁴

6
- 79952591327
- Y.-L. Huang, M. Heilig, H. Hasse, J. Vrabec, AIChE J. 2011, 57, 1043.
- (2011) AIChE J. , vol.57 , pp. 1043
- Huang, Y.-L.¹ Heilig, M.² Hasse, H.³ Vrabec, J.⁴

7
- 0001118136
- S. Jiang, S. Dasgupta, M. Blanco, R. Frazier, E. S. Yamaguchi, Y. Tang, W. A. Goddard, III, J. Phys. Chem. 1996, 100, 15760.
- (1996) J. Phys. Chem. , vol.100 , pp. 15760
- Jiang, S.¹ Dasgupta, S.² Blanco, M.³ Frazier, R.⁴ Yamaguchi, E.S.⁵ Tang, Y.⁶ Goddard, W.A.⁷

8
- 0037370149
- R. J. Meier, Comput. Mater. Sci. 2003, 27, 219.
- (2003) Comput. Mater. Sci. , vol.27 , pp. 219
- Meier, R.J.¹

9
- 33845617711
- R. J. Meier, Vib. Spectrosc. 2007, 43, 26.
- (2007) Vib. Spectrosc. , vol.43 , pp. 26
- Meier, R.J.¹

10
- 0013410236
- E. Koglin, R. J. Meier, Chem. Phys. Lett. 1999, 312, 284.
- (1999) Chem. Phys. Lett. , vol.312 , pp. 284
- Koglin, E.¹ Meier, R.J.²

11
- 0037133106
- R. J. Meier, E. Koglin, Chem. Phys. Lett. 2002, 353, 239.
- (2002) Chem. Phys. Lett. , vol.353 , pp. 239
- Meier, R.J.¹ Koglin, E.²

12
- 84987069027
- W. H. Green, Int. J. Quantum Chem. 1994, 52, 837.
- (1994) Int. J. Quantum Chem. , vol.52 , pp. 837
- Green, W.H.¹

13
- 0000808440
- R. G. Susnow, A. M. Dean, W. H. Green, Chem. Phys. Lett. 1999, 312, 262.
- (1999) Chem. Phys. Lett. , vol.312 , pp. 262
- Susnow, R.G.¹ Dean, A.M.² Green, W.H.³

14
- 0004058135
- Ronald Press, New York
- H. S. Johnston, Gas Phase Reaction Rate Theory, Ronald Press, New York, 1966.
- (1966) Gas Phase Reaction Rate Theory
- Johnston, H.S.¹

15
- 0000866492
- K. D. Dobbs, D. A. Dixon, J. Phys. Chem. 1996, 100, 3965.
- (1996) J. Phys. Chem. , vol.100 , pp. 3965
- Dobbs, K.D.¹ Dixon, D.A.²

16
- 33751157505
- (a) N. Matsuzawa, D. A. Dixon, J. Phys. Chem. 1994, 98, 2545;
- (1994) J. Phys. Chem. , vol.98 , pp. 2545
- Matsuzawa, N.¹ Dixon, D.A.²

17
- 0001319352
- D. A. Dixon, N. Matsuzawa, J. Phys. Chem. 1994, 98, 3967.
- (1994) J. Phys. Chem. , vol.98 , pp. 3967
- Dixon, D.A.¹ Matsuzawa, N.²

18
- 0001112979
- N. Matsuzawa, D. A. Dixon, J. Phys. Chem. 1994, 98, 11677.
- (1994) J. Phys. Chem. , vol.98 , pp. 11677
- Matsuzawa, N.¹ Dixon, D.A.²

19
- 11644290624
- N. Matsuzawa, M. Ata, D. A. Dixon, J. Phys. Chem. 1995, 99, 7698.
- (1995) J. Phys. Chem. , vol.99 , pp. 7698
- Matsuzawa, N.¹ Ata, M.² Dixon, D.A.³

20
- 0242391123
- P. Sherwood, A. H. de Vries, M. F. Guest, G. Schreckenbach, C. R. A. Catlowb, S. A. French, A. A. Sokol, S. T. Bromley, W. Thiel, A. J. Turner, S. Billeter, F. Terstegen, S. Thiel, J. Kendrick, S. C. Rogers, J. Casci, M. Watson, F. King, E. Karlsen, M. Sjøvoll, A. Fahmi, A. Schäfer, C. Lennartz, THEOCHEM 2003, 632, 1.
- (2003) Theochem , vol.632 , pp. 1
- Sherwood, P.¹ De Vries, A.H.² Guest, M.F.³ Schreckenbach, G.⁴ Catlowb, C.R.A.⁵ French, S.A.⁶ Sokol, A.A.⁷ Bromley, S.T.⁸ Thiel, W.⁹ Turner, A.J.¹⁰ Billeter, S.¹¹ Terstegen, F.¹² Thiel, S.¹³ Kendrick, J.¹⁴ Rogers, S.C.¹⁵ Casci, J.¹⁶ Watson, M.¹⁷ King, F.¹⁸ Karlsen, E.¹⁹ Sjøvoll, M.²⁰ more..

21
- 84986512474
- B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, M. Karplus, J. Comput. Chem. 1983, 4, 187.
- (1983) J. Comput. Chem. , vol.4 , pp. 187
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

22
- 0037149142
- C. Lennartz, A. Schäfer, F. Terstegen, W. Thiel, J. Phys. Chem. B 2002, 106, 1758.
- (2002) J. Phys. Chem. B , vol.106 , pp. 1758
- Lennartz, C.¹ Schäfer, A.² Terstegen, F.³ Thiel, W.⁴

23
- 4243553426
- (a) A. D. Becke, Phys. Rev. A 1988, 38, 3098;
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

24
- 5944261746
- J. Perdew, Phys. Rev. B 1986, 33, 8822;
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.¹

25
- 0000216001
- S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

26
- 11744256643
- (a) J. Tomasi, M. Persico, Chem. Rev. 1994, 94, 2027;
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

27
- 84962407530
- J. Tomasi, R. Cammi, B. Menucci, Int. J. Quantum Chem. 1999, 75, 767;
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 767
- Tomasi, J.¹ Cammi, R.² Menucci, B.³

28
- 77951095380
- J. Liu, C. P. Kelly, A. C. Goren, A. V. Marenich, C. J. Cramer, D. G. Truhlar, C.-G. Zhan, J. Chem. Theory Comput. 2010, 6, 1109.
- (2010) J. Chem. Theory Comput. , vol.6 , pp. 1109
- Liu, J.¹ Kelly, C.P.² Goren, A.C.³ Marenich, A.V.⁴ Cramer, C.J.⁵ Truhlar, D.G.⁶ Zhan, C.-G.⁷

29
- 84961980743
- A. Klamt, G. Schüürmann, J. Chem. Soc. Perkin Trans II 1993, 799.
- (1993) J. Chem. Soc. Perkin Trans II , vol.799
- Klamt, A.¹ Schüürmann, G.²

30
- 33751157086
- (a) A. Klamt, J. Phys. Chem. 1995, 99, 2224;
- (1995) J. Phys. Chem. , vol.99 , pp. 2224
- Klamt, A.¹

31
- 0034725477
- A. Klamt, F. Eckert, Fluid Phase Equilib. 2000, 172, 43.
- (2000) Fluid Phase Equilib. , vol.172 , pp. 43
- Klamt, A.¹ Eckert, F.²

32
- 4243539377
- R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165.
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

33
- 0034656445
- A. Schäfer, A. Klamt, D. Sattel, J. C. W. Lohrenz, F. Eckert, Phys. Chem. Chem. Phys. 2000, 2, 2187.
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2187
- Schäfer, A.¹ Klamt, A.² Sattel, D.³ Lohrenz, J.C.W.⁴ Eckert, F.⁵

34
- 59349084145
- R. Franke, J. Friedrich, Chem. Phys. 2009, 356, 110.
- (2009) Chem. Phys. , vol.356 , pp. 110
- Franke, R.¹ Friedrich, J.²

35
- 75949119308
- Aspen Technology, Cambridge, MA
- ASPEN PLUS Version 2006.5, Release 21.0.4021, Aspen Technology, Cambridge, MA, 2007.
- (2007) ASPEN PLUS Version 2006.5, Release 21.0.4021

36
- 75949103934
- R. Franke, B. Hannebauer, S. Jung, Chem. Eng. Technol. 2010, 33, 251.
- (2010) Chem. Eng. Technol. , vol.33 , pp. 251
- Franke, R.¹ Hannebauer, B.² Jung, S.³

37
- 82655183575
- R. Franke, B. Hannebauer, Phys. Chem. Chem. Phys. 2011, 13, 21344.
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 21344
- Franke, R.¹ Hannebauer, B.²

38
- 84872684104
- R. Franke, B. Hannebauer, S. Jung, Fluid Phase Equilib. 2013, 340, 11.
- (2013) Fluid Phase Equilib. , vol.340 , pp. 11
- Franke, R.¹ Hannebauer, B.² Jung, S.³

39
- 0023383820
- U. Weidlich, J. Gmehling, Ind. Eng. Chem. Res. 1987, 26, 1372.
- (1987) Ind. Eng. Chem. Res. , vol.26 , pp. 1372
- Weidlich, U.¹ Gmehling, J.²

40
- 0037196325
- A. Klamt, F. Eckert, M. Hornig, M. E. Beck, T. Bürger, J. Comput. Chem. 2002, 23, 275.
- (2002) J. Comput. Chem. , vol.23 , pp. 275
- Klamt, A.¹ Eckert, F.² Hornig, M.³ Beck, M.E.⁴ Bürger, T.⁵

41
- 34547993012
- M. Diedenhofen, A. Klamt, K. Marsh, A. Schäfer, Phys. Chem. Chem. Phys. 2007, 9, 4653.
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 4653
- Diedenhofen, M.¹ Klamt, A.² Marsh, K.³ Schäfer, A.⁴

42
- 33645633513
- (a) J. Gross, J. Vrabec, AIChE Journal 2006, 52, 1194;
- (2006) AIChE Journal , vol.52 , pp. 1194
- Gross, J.¹ Vrabec, J.²

43
- 84861779807
- K. Albers, G. Sadowski, Fluid Phase Equilib. 2012, 326, 21.
- (2012) Fluid Phase Equilib. , vol.326 , pp. 21
- Albers, K.¹ Sadowski, G.²

44
- 84861763226
- K. Albers, M. Heilig, G. Sadowski, Fluid Phase Equilib. 2012, 326, 31.
- (2012) Fluid Phase Equilib. , vol.326 , pp. 31
- Albers, K.¹ Heilig, M.² Sadowski, G.³

45
- 77955732874
- (a) P. Deglmann, I. Müller, F. Becker, A. Schäfer, K.-D. Hungenberg, H. Weiss, Macromol. React. Eng. 2009, 3, 496;
- (2009) Macromol. React. Eng. , vol.3 , pp. 496
- Deglmann, P.¹ Müller, I.² Becker, F.³ Schäfer, A.⁴ Hungenberg, K.-D.⁵ Weiss, H.⁶

46
- 79953274222
- H. Weiss, P. Deglmann, Macromol. Symp. 2011, 302, 6.
- (2011) Macromol. Symp. , vol.302 , pp. 6
- Weiss, H.¹ Deglmann, P.²

47
- 84962415147
- P. Deglmann, S, Schenk, J. Comput. Chem. 2012, 33, 1304.
- (2012) J. Comput. Chem. , vol.33 , pp. 1304
- Deglmann, S.P.¹ Schenk²

48
- 0242540027
- A. Klamt, F. Eckert, M. Diedenhofen, M. E. Beck, J. Phys. Chem. A 2003, 107, 9380.
- (2003) J. Phys. Chem. A , vol.107 , pp. 9380
- Klamt, A.¹ Eckert, F.² Diedenhofen, M.³ Beck, M.E.⁴

49
- 84861325182
- B. Baumeier, F. May, C. Lennartz, D. Adrienko, J. Mater. Chem. 2012, 22, 10971.
- (2012) J. Mater. Chem. , vol.22 , pp. 10971
- Baumeier, B.¹ May, F.² Lennartz, C.³ Adrienko, D.⁴

50
- 84857777103
- A. Fuchs, T. Steinbrecher, M. S. Sommer, Y. Nagata, M. Elstner, C. Lennartz, Phys. Chem. Chem. Phys. 2012, 14, 4259.
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 4259
- Fuchs, A.¹ Steinbrecher, T.² Sommer, M.S.³ Nagata, Y.⁴ Elstner, M.⁵ Lennartz, C.⁶

51
- 41149143620
- J. J. Kwiatkowski, J. Nelson, H. Li, J. L. Bredas, W. Wenzel and C. Lennartz, Phys. Chem. Chem. Phys. 2008, 10,1852.
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 1852
- Kwiatkowski, J.J.¹ Nelson, J.² Li, H.³ Bredas, J.L.⁴ Wenzel, W.⁵ Lennartz, C.⁶

52
- 47849090020
- Y. Nagata, C. Lennartz, J. Chem. Phys. 2008, 129, 034709.
- (2008) J. Chem. Phys. , vol.129 , pp. 034709
- Nagata, Y.¹ Lennartz, C.²

53
- 84865441008
- F. May, M. Al-Helwi, B. Baumeier, W. Kowalsky, E. Fuchs, C. Lennartz, D. Andrienko, J. Am. Chem. Soc. 2012, 134, 13818.
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 13818
- May, F.¹ Al-Helwi, M.² Baumeier, B.³ Kowalsky, W.⁴ Fuchs, E.⁵ Lennartz, C.⁶ Andrienko, D.⁷

54
- 27744594212
- A. Erdemir, S. Li, Y. Jin, Int. J. Mol. Sci. 2005, 6, 203.
- (2005) Int. J. Mol. Sci. , vol.6 , pp. 203
- Erdemir, A.¹ Li, S.² Jin, Y.³

55
- 31544437171
- M. Ue, T. Fujii, Z.B. Zhou, M. Takeda, S. Kinoshita, Solid State Ionics 2006, 177, 323.
- (2006) Solid State Ionics , vol.177 , pp. 323
- Ue, M.¹ Fujii, T.² Zhou, Z.B.³ Takeda, M.⁴ Kinoshita, S.⁵

56
- 71549162061
- M. D. Halls, K. Tasaki, J. Power Sources 2010, 195, 1472.
- (2010) J. Power Sources , vol.195 , pp. 1472
- Halls, M.D.¹ Tasaki, K.²

57
- 4243606192
- R. Car, M. Parrinello, Phys. Rev. Lett. 1985, 55, 2471.
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

58
- 0002976034
- B. B. Coussens, F. Buda, H. Oevering, R. J. Meier, Organometallics 1998, 17, 795.
- (1998) Organometallics , vol.17 , pp. 795
- Coussens, B.B.¹ Buda, F.² Oevering, H.³ Meier, R.J.⁴

59
- 0001262096
- S. Creve, H. Oevering, B. B. Coussens, Organometallics 1999, 18, 1967.
- (1999) Organometallics , vol.18 , pp. 1967
- Creve, S.¹ Oevering, H.² Coussens, B.B.³

60
- 84859321094
- R. Jennerjahn, R. Jackstell, I. Piras, R. Franke, H. Jiao, M. Bauer, M. Beller, Chem. Sus. Chem. 2012, 5 734.
- (2012) Chem. Sus. Chem. , vol.5 , pp. 734
- Jennerjahn, R.¹ Jackstell, R.² Piras, I.³ Franke, R.⁴ Jiao, H.⁵ Bauer, M.⁶ Beller, M.⁷

61
- 0032578170
- O. Aagaard, R. J. Meier, F. Buda, J. Am. Chem. Soc. 1998, 120, 7174.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 7174
- Aagaard, O.¹ Meier, R.J.² Buda, F.³

62
- 0030994105
- E. L. Dias, S. T. Nguyen, R. H. Grubbs, J. Am. Chem. Soc. 1997, 119, 3887.
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 3887
- Dias, E.L.¹ Nguyen, S.T.² Grubbs, R.H.³

63
- 79953733470
- chapter 6; R. Hoff, R. T. Mathers, Eds. Wiley, Hoboken (New Jersey)
- T. E. Nowlin, R. I. Mink, Y. V. Kissin, In Handbook of Transition Metal Polymerization Catalysts, chapter 6; R. Hoff, R. T. Mathers, Eds., Wiley, Hoboken (New Jersey), 2010.
- (2010) Handbook of Transition Metal Polymerization Catalysts
- Nowlin, T.E.¹ Mink, R.I.² Kissin, Y.V.³

64
- 0032203250
- A. L. McKnight, R. M. Waymouth, Chem. Rev. 1998, 98, 2587.
- (1998) Chem. Rev. , vol.98 , pp. 2587
- McKnight, A.L.¹ Waymouth, R.M.²

65
- 0037240069
- V. C. Gibson, S. K. Spitzmesser, Chem. Rev. 2003, 103, 283.
- (2003) Chem. Rev. , vol.103 , pp. 283
- Gibson, V.C.¹ Spitzmesser, S.K.²

66
- 0033136606
- A. Klesing, S. Bettonville, Phys. Chem. Chem. Phys. 1999, 1, 2373.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 2373
- Klesing, A.¹ Bettonville, S.²

67
- 0010196631
- R. J. Meier, G. H. J. van Doremaele, S. Iarlori, F. Buda, J. Am. Chem. Soc. 1994, 116, 7274.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 7274
- Meier, R.J.¹ Van Doremaele, G.H.J.² Iarlori, S.³ Buda, F.⁴

68
- 34548530746
- P. Mercandelli, A. Sironi, L. Resconi, I. Camurati, J. Organomet. Chem. 2007, 692, 4784.
- (2007) J. Organomet. Chem. , vol.692 , pp. 4784
- Mercandelli, P.¹ Sironi, A.² Resconi, L.³ Camurati, I.⁴

69
- 37249015416
- S. K. Mandal, P. M. Gurubasavaraj, H. W. Roesky, G. Schwab, D. Stalke, R. B. Oswald, V. Dolle, Inorg. Chem. 2007, 46, 10158.
- (2007) Inorg. Chem. , vol.46 , pp. 10158
- Mandal, S.K.¹ Gurubasavaraj, P.M.² Roesky, H.W.³ Schwab, G.⁴ Stalke, D.⁵ Oswald, R.B.⁶ Dolle, V.⁷

70
- 0000020407
- R. Duchateau, U. Cremer, R. J. Harmsen, S. I. Mohamud, H. C. L. Abbenhuis, R. A. van Santen, A. Meetsma, S. K.-H. Thiele, M. F. H. van Tol, M. Kranenburg, Organometallics 2008, 18, 5447.
- (2008) Organometallics , vol.18 , pp. 5447
- Duchateau, R.¹ Cremer, U.² Harmsen, R.J.³ Mohamud, S.I.⁴ Abbenhuis, H.C.L.⁵ Van Santen, R.A.⁶ Meetsma, A.⁷ Thiele, S.K.-H.⁸ Van Tol, M.F.H.⁹ Kranenburg, M.¹⁰

71
- 33846980852
- M. Reinhold, J. E. McGrady, R. J. Meier, J. Chem. Soc. Dalton Trans. 1999, 487.
- (1999) J. Chem. Soc. Dalton Trans. , vol.487
- Reinhold, M.¹ McGrady, J.E.² Meier, R.J.³

72
- 0035912433
- R. J. Meier, E. Koglin, J. Phys. Chem. A 2001, 105, 3867.
- (2001) J. Phys. Chem. A , vol.105 , pp. 3867
- Meier, R.J.¹ Koglin, E.²

73
- 0037373421
- R. J. Meier, E. Koglin, Comp. Mater. Sci. 2003, 27, 133.
- (2003) Comp. Mater. Sci. , vol.27 , pp. 133
- Meier, R.J.¹ Koglin, E.²

74
- 84919348496
- R. J. Meier, E. Koglin, Soft Materials 2003, 1, 205.
- (2003) Soft Materials , vol.1 , pp. 205
- Meier, R.J.¹ Koglin, E.²

75
- 4544344160
- R. J. Meier, E. Koglin, Macromol. Theory Simul. 2004, 114, 133.
- (2004) Macromol. Theory Simul. , vol.114 , pp. 133
- Meier, R.J.¹ Koglin, E.²

76
- 34347244137
- R. D. J. Froese, P. D. Hustad, R. L. Kuhlman, T. T. Wenzel, J. Am. Chem. Soc. 2007, 129, 7831.
- (2007) J. Am. Chem. Soc. , vol.129 , pp. 7831
- Froese, R.D.J.¹ Hustad, P.D.² Kuhlman, R.L.³ Wenzel, T.T.⁴

77
- 0034829775
- (a) S. Matsui, M. Mitani, J. Saito, Y. Tohi, H. Makio, N. Matsukawa, Y. Takagi, K. Tsuru, M. Nitabaru, T. Nakano, H. Tanaka, N. Kashiwa, T. Fujita, J. Am. Chem. Soc. 2001, 123, 6847;
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 6847
- Matsui, S.¹ Mitani, M.² Saito, J.³ Tohi, Y.⁴ Makio, H.⁵ Matsukawa, N.⁶ Takagi, Y.⁷ Tsuru, K.⁸ Nitabaru, M.⁹ Nakano, T.¹⁰ Tanaka, H.¹¹ Kashiwa, N.¹² Fujita, T.¹³

78
- 0037012385
- M. Mitani, J.-I. Mohri, Y. Yoshida, J. Saito, S. Ishii, K. Tsuru, S. Matsui, R. Furuyama, T. Nakano, H. Tanaka, S.-I. Kojoh, T. Matsugi, N. Kashiwa, T. Fujita, J. Am. Chem. Soc. 2002, 124, 3327;
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 3327
- Mitani, M.¹ Mohri, J.-I.² Yoshida, Y.³ Saito, J.⁴ Ishii, S.⁵ Tsuru, K.⁶ Matsui, S.⁷ Furuyama, R.⁸ Nakano, T.⁹ Tanaka, H.¹⁰ Kojoh, S.-I.¹¹ Matsugi, T.¹² Kashiwa, N.¹³ Fujita, T.¹⁴

79
- 0037045473
- J. Saito, M. Mitani, S. Matsui, Y. Tohi, H. Makio, T. Nakano, H. Tanaka, N. Kashiwa, T. Fujita, Macromol. Chem. Phys. 2002, 203, 59.
- (2002) Macromol. Chem. Phys. , vol.203 , pp. 59
- Saito, J.¹ Mitani, M.² Matsui, S.³ Tohi, Y.⁴ Makio, H.⁵ Nakano, T.⁶ Tanaka, H.⁷ Kashiwa, N.⁸ Fujita, T.⁹

80
- 0035851951
- (a) Y. Yoshida, S. Matsui, Y. Takagi, M. Mitani, T. Nakano, H. Tanaka, N. Kashiwa, T. Fujita, Organometallics 2001, 20, 4793;
- (2001) Organometallics , vol.20 , pp. 4793
- Yoshida, Y.¹ Matsui, S.² Takagi, Y.³ Mitani, M.⁴ Nakano, T.⁵ Tanaka, H.⁶ Kashiwa, N.⁷ Fujita, T.⁸

81
- 4644311919
- Y. Yoshida, J.-I. Mohri, S.-I. Ishii, M. Mitani, J. Saito, S. Matsui, H. Makio, T. Nakano, H. Tanaka, M. Onda, Y. Yamamoto, A. Mizuno, T. Fujita, J. Am. Chem. Soc. 2004, 126, 12023.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 12023
- Yoshida, Y.¹ Mohri, J.-I.² Ishii, S.-I.³ Mitani, M.⁴ Saito, J.⁵ Matsui, S.⁶ Makio, H.⁷ Nakano, T.⁸ Tanaka, H.⁹ Onda, M.¹⁰ Yamamoto, Y.¹¹ Mizuno, A.¹² Fujita, T.¹³

82
- 33846207878
- H. Terao, S.-I. Ishii, J. Saito, S. Matsuura, M. Mitani, N. Nagai, H. Tanaka, T. Fujita, Macromolecules 2006, 39, 8584.
- (2006) Macromolecules , vol.39 , pp. 8584
- Terao, H.¹ Ishii, S.-I.² Saito, J.³ Matsuura, S.⁴ Mitani, M.⁵ Nagai, N.⁶ Tanaka, H.⁷ Fujita, T.⁸

83
- 84869069712
- L. Caporaso, M. Loria, M. Mazzeo, K. Michiue, T. Nakano, T. Fujita, L. Cavallo, Macromolecules 2012, 45, 8588.
- (2012) Macromolecules , vol.45 , pp. 8588
- Caporaso, L.¹ Loria, M.² Mazzeo, M.³ Michiue, K.⁴ Nakano, T.⁵ Fujita, T.⁶ Cavallo, L.⁷

84
- 0037765031
- H. Weiss, S. Steiger, S. Jüngling, A. V. Yakimansky, A. H. E. Müller, Macromolecules 2003, 36, 3374.
- (2003) Macromolecules , vol.36 , pp. 3374
- Weiss, H.¹ Steiger, S.² Jüngling, S.³ Yakimansky, A.V.⁴ Müller, A.H.E.⁵

85
- 34548559063
- P. H. M. Budzelaar, B. B. Coussens, N. Friederichs, J. Orgonomet. Chem. 2007, 692, 4473.
- (2007) J. Orgonomet. Chem. , vol.692 , pp. 4473
- Budzelaar, P.H.M.¹ Coussens, B.B.² Friederichs, N.³

86
- 0033315212
- B. Schmitt, H. Schlaad, A. H. E. Müller, B. Mathiasch, S. Steiger, H. Weiss, Macromolecules 1999, 32, 8340.
- (1999) Macromolecules , vol.32 , pp. 8340
- Schmitt, B.¹ Schlaad, H.² Müller, A.H.E.³ Mathiasch, B.⁴ Steiger, S.⁵ Weiss, H.⁶

87
- 0033750689
- B. Schmitt, H. Schlaad, A. H. E. Müller, B. Mathiasch, S. Steiger, H. Weiss, Macromolecules 2000, 33, 2887.
- (2000) Macromolecules , vol.33 , pp. 2887
- Schmitt, B.¹ Schlaad, H.² Müller, A.H.E.³ Mathiasch, B.⁴ Steiger, S.⁵ Weiss, H.⁶

88
- 33746369137
- S. Tomasi, H. Weiss, T. Ziegler, Organometallics 2006, 25, 3619.
- (2006) Organometallics , vol.25 , pp. 3619
- Tomasi, S.¹ Weiss, H.² Ziegler, T.³

89
- 34248336686
- S. Tomasi, H. Weiss, T. Ziegler, Organometallics 2007, 26, 2157.
- (2007) Organometallics , vol.26 , pp. 2157
- Tomasi, S.¹ Weiss, H.² Ziegler, T.³

90
- 9144221508
- M. J. Szabo, R. F. Jordan, A. Michalak, W. E. Piers, T. Weiss, S.-Y. Yang, T. Ziegler, Organometallics 2004, 23, 5565.
- (2004) Organometallics , vol.23 , pp. 5565
- Szabo, M.J.¹ Jordan, R.F.² Michalak, A.³ Piers, W.E.⁴ Weiss, T.⁵ Yang, S.-Y.⁶ Ziegler, T.⁷

91
- 15944416138
- S.-Y. Yang, M. J. Szabo, A. Michalak, T. Weiss, W. E. Piers, R. F. Jordan, T. Ziegler, Organometallics 2005, 24, 1242.
- (2005) Organometallics , vol.24 , pp. 1242
- Yang, S.-Y.¹ Szabo, M.J.² Michalak, A.³ Weiss, T.⁴ Piers, W.E.⁵ Jordan, R.F.⁶ Ziegler, T.⁷

92
- 78651305935
- C. Loschen, N. Otte, E. Radchenko, Macromolecules 2010, 43, 9674.
- (2010) Macromolecules , vol.43 , pp. 9674
- Loschen, C.¹ Otte, N.² Radchenko, E.³

93
- 0035121066
- A. L. Frischknecht, S. T. Milner, J. Chem. Phys. 2001, 114, 1032.
- (2001) J. Chem. Phys. , vol.114 , pp. 1032
- Frischknecht, A.L.¹ Milner, S.T.²

94
- 84892849551
- S. Liu, S. Srinivasan, M. C. Grady, M. Soroush, A. M. Rappe, Int. J. Quantum Chem. 2014, 114, 345.
- (2014) Int. J. Quantum Chem. , vol.114 , pp. 345
- Liu, S.¹ Srinivasan, S.² Grady, M.C.³ Soroush, M.⁴ Rappe, A.M.⁵

95
- 27344438768
- G. A. Luinstra, G. R. Haas, F. Molnar, V. Bernhart, R. Eberhardt, B. Rieger, Chem. Eur. J. 2005, 11, 6298.
- (2005) Chem. Eur. J. , vol.11 , pp. 6298
- Luinstra, G.A.¹ Haas, G.R.² Molnar, F.³ Bernhart, V.⁴ Eberhardt, R.⁵ Rieger, B.⁶

96
- 79960757244
- M. W. Lehenmeier, C. Bruckmeier, S. Klaus, J. E. Dengler, P. Deglmann, A. K. Ott, B. Rieger, Chem. Eur. J. 2011, 17, 8858.
- (2011) Chem. Eur. J. , vol.17 , pp. 8858
- Lehenmeier, M.W.¹ Bruckmeier, C.² Klaus, S.³ Dengler, J.E.⁴ Deglmann, P.⁵ Ott, A.K.⁶ Rieger, B.⁷

97
- 73349102302
- M. R. Kember, P. D. Knight, P. T. R. Reung, C. K. Williams, Angew. Chem. 2009, 121, 949;
- (2009) Angew. Chem. , vol.121 , pp. 949
- Kember, M.R.¹ Knight, P.D.² Reung, P.T.R.³ Williams, C.K.⁴

98
- 58349094315
- Angew. Chem. Int. Ed. 2009, 48, 931.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 931

99
- 80051708229
- S. Klaus, M. W. Lehenmeier, E. Herdtweck, Peter Deglmann, A. K. Ott, B. Rieger, J. Am. Chem. Soc. 2011, 133, 13151.
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 13151
- Klaus, S.¹ Lehenmeier, M.W.² Herdtweck, E.³ Deglmann, P.⁴ Ott, A.K.⁵ Rieger, B.⁶

100
- 84923655087
- M. W. Lehenmaier, S. Kissling, P. Altenbuchner, C. Bruckmeier, P. Deglmann, A. K. Brym, B. Rieger, Angew. Chem. 2013, 125, 10004;
- (2013) Angew. Chem. , vol.125 , pp. 10004
- Lehenmaier, M.W.¹ Kissling, S.² Altenbuchner, P.³ Bruckmeier, C.⁴ Deglmann, P.⁵ Brym, A.K.⁶ Rieger, B.⁷

101
- 84883513150
- Angew. Chem. Int. Ed. 2013, 52, 9821.
- (2013) Angew. Chem. Int. Ed. , vol.52 , pp. 9821

102
- 0037451476
- F. Molnar, G. A. Luinstra, M. Allemndinger, B. Rieger, Chem. Eur. J. 2003, 9, 1273.
- (2003) Chem. Eur. J. , vol.9 , pp. 1273
- Molnar, F.¹ Luinstra, G.A.² Allemndinger, M.³ Rieger, B.⁴

103
- 84865500958
- M. Zintl, F. Molnar, T. Urban, V. Bernhart, P. Preishuber-Pflügl, B. Rieger, Angew. Chem. 2008, 120, 3508;
- (2008) Angew. Chem. , vol.120 , pp. 3508
- Zintl, M.¹ Molnar, F.² Urban, T.³ Bernhart, V.⁴ Preishuber-Pflügl, P.⁵ Rieger, B.⁶

104
- 43849104155
- Angew. Chem. Int. Ed. 2008, 47, 3458.
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 3458

105
- 24644466722
- M. Allmendinger, F. Molnar, M. Zintl, G. A. Luinstra, P. Preishuber-Pflügl, B. Rieger, Chem. Eur. J. 2005, 11, 5327.
- (2005) Chem. Eur. J. , vol.11 , pp. 5327
- Allmendinger, M.¹ Molnar, F.² Zintl, M.³ Luinstra, G.A.⁴ Preishuber-Pflügl, P.⁵ Rieger, B.⁶

106
- 80054048365
- H. Charville, D. A. Jackson, G. Hodges, A. Whiting, M. R. Wilson, Eur. J. Org. Chem. 2011, 5981.
- (2011) Eur. J. Org. Chem. , pp. 5981
- Charville, H.¹ Jackson, D.A.² Hodges, G.³ Whiting, A.⁴ Wilson, M.R.⁵

107
- 84962476750
- I. Shigemoto, T. Kawakami, H. Taiko, M Okumura, Polymer 2011, 52, 3443.
- (2011) Polymer , vol.52 , pp. 3443
- Shigemoto, I.¹ Kawakami, T.² Taiko, H.³ Okumura, M.⁴

108
- 34047253034
- A. Patel, F. Liebner, K. Mereiter, T. Netscher, T. Rosenau, Tetrahedron 2007, 63, 4067.
- (2007) Tetrahedron , vol.63 , pp. 4067
- Patel, A.¹ Liebner, F.² Mereiter, K.³ Netscher, T.⁴ Rosenau, T.⁵

109
- 34248217142
- A. Patel, T. Netscher, L. Gille, K. Mereiter, T. Rosenau, Tetrahedron 2007, 63, 5312.
- (2007) Tetrahedron , vol.63 , pp. 5312
- Patel, A.¹ Netscher, T.² Gille, L.³ Mereiter, K.⁴ Rosenau, T.⁵

110
- 70349309175
- A. Patel, S. Böhmdorfer, A. Hofinger, T. Netscher, T. Rosenau, Eur. J. Org. Chem. 2009, 4873.
- (2009) Eur. J. Org. Chem. , pp. 4873
- Patel, A.¹ Böhmdorfer, S.² Hofinger, A.³ Netscher, T.⁴ Rosenau, T.⁵

111
- 81155161877
- M. Carril, P. Altmann, M. Drees, W. Bonrath, T. Netscher, J. Schütz, F. E. Kühn, J. Catal. 2011, 283, 55.
- (2011) J. Catal. , vol.283 , pp. 55
- Carril, M.¹ Altmann, P.² Drees, M.³ Bonrath, W.⁴ Netscher, T.⁵ Schütz, J.⁶ Kühn, F.E.⁷

112
- 0037164638
- M. Biesemans, H. Dalil, L. T. Nguyen, B. Haelterman, G. Decadt, F. Verpoort, R. Willem, P. Geerlings, Tetrahedron 2002, 58, 10447.
- (2002) Tetrahedron , vol.58 , pp. 10447
- Biesemans, M.¹ Dalil, H.² Nguyen, L.T.³ Haelterman, B.⁴ Decadt, G.⁵ Verpoort, F.⁶ Willem, R.⁷ Geerlings, P.⁸

113
- 33751290436
- G. Luppi, M. Monari, R. J. Correa, F. A. de Violante, A. C. Pinto, B. Kaptein, Q. B. Broxterman, S. J. Garden, C. Tomasini, Tetrahedron 2006, 62, 12017.
- (2006) Tetrahedron , vol.62 , pp. 12017
- Luppi, G.¹ Monari, M.² Correa, R.J.³ De Violante, F.A.⁴ Pinto, A.C.⁵ Kaptein, B.⁶ Broxterman, Q.B.⁷ Garden, S.J.⁸ Tomasini, C.⁹

114
- 33644754213
- Q. Ma, D. Chakraborty, F. Faglioni, R. P. Mulle, W. A. Goddard III, T. Harris, C. Campbell, Y. Tang, J. Phys. Chem. A 2006, 110, 2246.
- (2006) J. Phys. Chem. A , vol.110 , pp. 2246
- Ma, Q.¹ Chakraborty, D.² Faglioni, F.³ Mulle, R.P.⁴ Goddard, W.A.⁵ Harris, T.⁶ Campbell, C.⁷ Tang, Y.⁸

115
- 0141975263
- S. Camara, B. C. Gilbert, R. J. Meier, M. van Duin, A. C. Whitwood, Org. Biomol. Chem. 2003, 1, 1181.
- (2003) Org. Biomol. Chem. , vol.1 , pp. 1181
- Camara, S.¹ Gilbert, B.C.² Meier, R.J.³ Van Duin, M.⁴ Whitwood, A.C.⁵

116
- 34248200492
- D. Bertin, S. Grimaldi, M. Leblanc, S. R. A. Marque, D. Siri, P. Tordo, THEOCHEM 2007, 811, 255.
- (2007) Theochem , vol.811 , pp. 255
- Bertin, D.¹ Grimaldi, S.² Leblanc, M.³ Marque, S.R.A.⁴ Siri, D.⁵ Tordo, P.⁶

117
- 18344376209
- M. E. Beck, J. Chem. Inf. Model. 2005, 45, 273.
- (2005) J. Chem. Inf. Model. , vol.45 , pp. 273
- Beck, M.E.¹

118
- 0344084442
- M. Ishida, T. Suzuki, H. Ichihashi, A. Shiga, Catal. Today 2003, 87, 187.
- (2003) Catal. Today , vol.87 , pp. 187
- Ishida, M.¹ Suzuki, T.² Ichihashi, H.³ Shiga, A.⁴

119
- 0010150169
- H. Fujimoto, T. Yamasaki, N. Koga, J. Am. Chem. Soc. 1985, 107, 6157.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6157
- Fujimoto, H.¹ Yamasaki, T.² Koga, N.³

120
- 33751157732
- (a) P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Chem. Phys. 1994, 98, 11623;
- (1994) J. Chem. Phys. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

121
- 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

122
- 0000189651
- A. D. Becke, J. Chem. Phys. 1993, 98, 5648;
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

123
- 0000216001
- S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

124
- 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

125
- 43649108963
- T. Schwabe, S. Grimme, Acc. Chem. Res. 2008, 41, 569.
- (2008) Acc. Chem. Res. , vol.41 , pp. 569
- Schwabe, T.¹ Grimme, S.²

126
- 33747615553
- Cardiff, UK
- H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz and others, MOLPRO, version 2012.1, a package of ab initio programs, Cardiff, UK, 2012. Available at: http://www.molpro.net.
- (2012) MOLPRO, Version 2012.1, A Package of Ab Initio Programs
- Werner, H.-J.¹ Knowles, P.J.² Knizia, G.³ Manby, F.R.⁴ Schütz, M.⁵

127
- 80054972833
- T. B. Adler, H.-J. Werner, J. Chem. Phys. 2011, 135, 144117.
- (2011) J. Chem. Phys. , vol.135 , pp. 144117
- Adler, T.B.¹ Werner, H.-J.²

128
- 65949117593
- J. K. Nørskov, T. Bligaard, J. Rossmeisl, C. H. Christensen, Nat. Chem. 2009, 1, 37.
- (2009) Nat. Chem. , vol.1 , pp. 37
- Nørskov, J.K.¹ Bligaard, T.² Rossmeisl, J.³ Christensen, C.H.⁴

129
- 78249257977
- E. M. Fernandez, P. G. Moses, A. Toftelund, H. A. Hansen, J. I. Martinez, F. Abild-Pedersen, J. Kleis, B. Hinnemann, J. Rossmeisl, T. Bligaard, J. K. Nørskov, Angew. Chem. 2008, 120, 4761;
- (2008) Angew. Chem. , vol.120 , pp. 4761
- Fernandez, E.M.¹ Moses, P.G.² Toftelund, A.³ Hansen, H.A.⁴ Martinez, J.I.⁵ Abild-Pedersen, F.⁶ Kleis, J.⁷ Hinnemann, B.⁸ Rossmeisl, J.⁹ Bligaard, T.¹⁰ Nørskov, J.K.¹¹

130
- 53349153662
- Angew. Chem. Int. Ed. 2008, 47, 4683.
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 4683

131
- 12844254253
- K. Honkala, A. Hellman, I. N. Remediakis, A. Logadottir, A. Carlsson, S. Dahl, C. H. Christensen, J. K. Nørskov, Science 2005, 307, 555.
- (2005) Science , vol.307 , pp. 555
- Honkala, K.¹ Hellman, A.² Remediakis, I.N.³ Logadottir, A.⁴ Carlsson, A.⁵ Dahl, S.⁶ Christensen, C.H.⁷ Nørskov, J.K.⁸

132
- 0031450471
- (a) A. M. Rigby, M. V. Frash, J. Mol. Catal. A 1997, 126, 61;
- (1997) J. Mol. Catal. A , vol.126 , pp. 61
- Rigby, A.M.¹ Frash, M.V.²

133
- 0031551260
- M. V. Frash, V. B. Kazansky, A. M. Rigby, R. A. van Santen, J. Phys. Chem. B 1997, 101, 5346;
- (1997) J. Phys. Chem. B , vol.101 , pp. 5346
- Frash, M.V.¹ Kazansky, V.B.² Rigby, A.M.³ Van Santen, R.A.⁴

134
- 0001436143
- M. V. Frash, V. B. Kazansky, A. M. Rigby, R. A. van Santen, J. Phys. Chem. B 1998, 102, 2232.
- (1998) J. Phys. Chem. B , vol.102 , pp. 2232
- Frash, M.V.¹ Kazansky, V.B.² Rigby, A.M.³ Van Santen, R.A.⁴

135
- 0001603322
- J. Sauer, U. Eichler, U. Meier, A. Schäfer, M. von Arnim, R. Ahlrichs, Chem. Phys. Lett. 1999, 308, 147.
- (1999) Chem. Phys. Lett. , vol.308 , pp. 147
- Sauer, J.¹ Eichler, U.² Meier, U.³ Schäfer, A.⁴ Von Arnim, M.⁵ Ahlrichs, R.⁶

136
- 0141569141
- S. Kasuriya, S. Namuangruk, P. Treesukol, M. Tirtowidjojo, J. Limtrakul, J. Catal. 2003, 219, 320.
- (2003) J. Catal. , vol.219 , pp. 320
- Kasuriya, S.¹ Namuangruk, S.² Treesukol, P.³ Tirtowidjojo, M.⁴ Limtrakul, J.⁵

137
- 0004133266
- IBM Corp. Zurich, Switzerland and Max Planck Institut für Festkörperforschung, Stuttgart, Germany, VC 2000-2014
- J. Hutter, P. Ballone, M. Bernasconi, P. Focher, E. Fois, S. Goedecker, D. Marx, M. Parrinello, M. Tuckerman, CPMD, IBM Corp. Zurich, Switzerland and Max Planck Institut für Festkörperforschung, Stuttgart, Germany, VC 2000-2014. Available at: http://www.cpmd.org.
- Cpmd
- Hutter, J.¹ Ballone, P.² Bernasconi, M.³ Focher, P.⁴ Fois, E.⁵ Goedecker, S.⁶ Marx, D.⁷ Parrinello, M.⁸ Tuckerman, M.⁹

138
- 0034859366
- (a) H. Weiss, M. Boero, M. Parrinello, Macromol. Symp. 2001, 173, 137;
- (2001) Macromol. Symp. , vol.173 , pp. 137
- Weiss, H.¹ Boero, M.² Parrinello, M.³

139
- 0035979115
- M. Boero, M. Parrinello, H. Weiss, S. Hüffer, J. Phys. Chem. A, 2001, 105, 5096;
- (2001) J. Phys. Chem. A , vol.105 , pp. 5096
- Boero, M.¹ Parrinello, M.² Weiss, H.³ Hüffer, S.⁴

140
- 0037145185
- M. Boero, M. Parrinello, K. Terakura, H. Weiss, Mol. Phys. 2002, 100, 2935.
- (2002) Mol. Phys. , vol.100 , pp. 2935
- Boero, M.¹ Parrinello, M.² Terakura, K.³ Weiss, H.⁴

141
- 34147127390
- (a) L. Cavallo, S. Del Piero, J.-M. Ducéré, R. Fedele, A. Melchior, G. Morini, F. Piemontesi, M. Tolazzi, J. Phys. Chem. C 2007, 111, 4412;
- (2007) J. Phys. Chem. C , vol.111 , pp. 4412
- Cavallo, L.¹ Del Piero, S.² Ducéré, J.-M.³ Fedele, R.⁴ Melchior, A.⁵ Morini, G.⁶ Piemontesi, F.⁷ Tolazzi, M.⁸

142
- 84860773005
- A. Correa, R. Credendino, J. T. M. Pater, G. Morini, L. Cavallo, Macromolecules 2012, 45, 3695.
- (2012) Macromolecules , vol.45 , pp. 3695
- Correa, A.¹ Credendino, R.² Pater, J.T.M.³ Morini, G.⁴ Cavallo, L.⁵

143
- 77956845153
- K. Vanka, G. Singh, D. Iyer, V. K. Gupta, J. Phys. Chem. C 2010, 114, 15771.
- (2010) J. Phys. Chem. C , vol.114 , pp. 15771
- Vanka, K.¹ Singh, G.² Iyer, D.³ Gupta, V.K.⁴

144
- 34147127390
- L. Cavallo, S. Del Piero, J.-M. Ducéré, R. Fedele, A. Melchior, G. Morini, F. Piemontesi, M. Tolazzi, J. Phys. Chem. C 2007, 111, 4412.
- (2007) J. Phys. Chem. C , vol.111 , pp. 4412
- Cavallo, L.¹ Del Piero, S.² Ducéré, J.-M.³ Fedele, R.⁴ Melchior, A.⁵ Morini, G.⁶ Piemontesi, F.⁷ Tolazzi, M.⁸

145
- 77952039017
- J. Cheng, P. Hu, P. Ellis, S. French, G. Kelly, C. M. Lok, Top. Catal. 2010, 53, 326.
- (2010) Top. Catal. , vol.53 , pp. 326
- Cheng, J.¹ Hu, P.² Ellis, P.³ French, S.⁴ Kelly, G.⁵ Lok, C.M.⁶

146
- 43749105424
- (a) J. Cheng, P. Hu, P. Ellis, S. French, G. Kelly, C. M. Lok, J. Phys. Chem. C 2008, 112, 6082;
- (2008) J. Phys. Chem. C , vol.112 , pp. 6082
- Cheng, J.¹ Hu, P.² Ellis, P.³ French, S.⁴ Kelly, G.⁵ Lok, C.M.⁶

147
- 39749164466
- J. Cheng, X.-Q. Gong, P. Hu, C. M. Lok, P. Ellis, S. French, J. Catal. 2008, 254, 285;
- (2008) J. Catal. , vol.254 , pp. 285
- Cheng, J.¹ Gong, X.-Q.² Hu, P.³ Lok, C.M.⁴ Ellis, P.⁵ French, S.⁶

148
- 40249112964
- J. Cheng, T. Song, P. Hu, C. M. Lok, P. Ellis, S. French, J. Catal. 2008, 255, 20;
- (2008) J. Catal. , vol.255 , pp. 20
- Cheng, J.¹ Song, T.² Hu, P.³ Lok, C.M.⁴ Ellis, P.⁵ French, S.⁶

149
- 67649223763
- J. Cheng, P. Hu, P. Ellis, S. French, G. Kelly, C. M. Lok, J. Phys. Chem. C 2009, 113, 8858.
- (2009) J. Phys. Chem. C , vol.113 , pp. 8858
- Cheng, J.¹ Hu, P.² Ellis, P.³ French, S.⁴ Kelly, G.⁵ Lok, C.M.⁶

150
- 44749092509
- J. Cheng, P. Hua, P. Ellis, S. French, G. Kelly, C. M. Lok, J. Catal. 2008, 257, 221.
- (2008) J. Catal. , vol.257 , pp. 221
- Cheng, J.¹ Hua, P.² Ellis, P.³ French, S.⁴ Kelly, G.⁵ Lok, C.M.⁶

151
- 33746874088
- D. Curulla-Ferre, A. Govender, T. C. Bromfield, J. W. Niemantsverdriet, J. Phys. Chem. B 2006, 110, 13897.
- (2006) J. Phys. Chem. B , vol.110 , pp. 13897
- Curulla-Ferre, D.¹ Govender, A.² Bromfield, T.C.³ Niemantsverdriet, J.W.⁴

152
- 15244339172
- T. C. Bromfield, D. Curulla Ferré, J. W. Niemantsverdriet, ChemPhysChem 2005, 6, 254.
- (2005) ChemPhysChem , vol.6 , pp. 254
- Bromfield, T.C.¹ Curulla Ferré, D.² Niemantsverdriet, J.W.³

153
- 84859936411
- M. Maestri, K. Reuter, Angew. Chemie 2011, 123, 1226;
- (2011) Angew. Chemie , vol.123 , pp. 1226
- Maestri, M.¹ Reuter, K.²

154
- 79251566167
- Angew. Chem. Int. Ed. 2011, 50, 1194.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 1194

155
- 33847628804
- S. G. Podkolzin, E. E. Stangland, M. E. Jones, E. Peringer, J. A. Lercher, J. Am. Chem. Soc. 2007, 129, 2569.
- (2007) J. Am. Chem. Soc. , vol.129 , pp. 2569
- Podkolzin, S.G.¹ Stangland, E.E.² Jones, M.E.³ Peringer, E.⁴ Lercher, J.A.⁵

156
- 33845608820
- R. Meyer, Q. Ge, J. Lockemeyer, R. Yeates, M. Lemanski, D. Reinalda, M. Neurock, Surf. Sci. 2007, 601, 134.
- (2007) Surf. Sci. , vol.601 , pp. 134
- Meyer, R.¹ Ge, Q.² Lockemeyer, J.³ Yeates, R.⁴ Lemanski, M.⁵ Reinalda, D.⁶ Neurock, M.⁷

157
- 0030572231
- H. Cheng, D. B. Reiser, P. M. Mathias, K. Baumert, S. W. Dean, Jr., J. Phys. Chem. 1996, 100, 9800.
- (1996) J. Phys. Chem. , vol.100 , pp. 9800
- Cheng, H.¹ Reiser, D.B.² Mathias, P.M.³ Baumert, K.⁴ Dean, S.W.⁵

158
- 38349118354
- L. Chen, A. C. Cooper, G. P. Pez, H. Cheng, J. Phys. Chem. C 2007, 111, 18995.
- (2007) J. Phys. Chem. C , vol.111 , pp. 18995
- Chen, L.¹ Cooper, A.C.² Pez, G.P.³ Cheng, H.⁴

159
- 0031237247
- S. Jiang, R. Frazier, E. S. Yamaguchi, M. Blanco, S. Dasgupta, Y. Zhou, T. Cagin, Y. Tang, W. A. Goddard, III, J. Phys. Chem. B 1997, 101, 7702.
- (1997) J. Phys. Chem. B , vol.101 , pp. 7702
- Jiang, S.¹ Frazier, R.² Yamaguchi, E.S.³ Blanco, M.⁴ Dasgupta, S.⁵ Zhou, Y.⁶ Cagin, T.⁷ Tang, Y.⁸ Goddard, W.A.⁹

160
- 0032523846
- D. R. Armstrong, E. S. Ferrari, K. J. Roberts, D. Adams, Wear 1998, 217, 276.
- (1998) Wear , vol.217 , pp. 276
- Armstrong, D.R.¹ Ferrari, E.S.² Roberts, K.J.³ Adams, D.⁴

161
- 28944451896
- A. D. DeBellis, K. C. Hass, J. Phys. Chem. A 1999, 103, 7665.
- (1999) J. Phys. Chem. A , vol.103 , pp. 7665
- Debellis, A.D.¹ Hass, K.C.²

162
- 84859199037
- L. Jasinska-Walc, M. Villani, D. Dudenko, O. van Asselen, E. Klop, S. Rastogi, M. R. Hansen, C. E. Koning, Macromolecules 2012, 45, 2796.
- (2012) Macromolecules , vol.45 , pp. 2796
- Jasinska-Walc, L.¹ Villani, M.² Dudenko, D.³ Van Asselen, O.⁴ Klop, E.⁵ Rastogi, S.⁶ Hansen, M.R.⁷ Koning, C.E.⁸

163
- 0036080117
- M. A. Neumann, C. Tedesco, S. Destri, D. R. Ferro, W. Porzio, J. Appl. Cryst. 2002, 35, 296.
- (2002) J. Appl. Cryst. , vol.35 , pp. 296
- Neumann, M.A.¹ Tedesco, C.² Destri, S.³ Ferro, D.R.⁴ Porzio, W.⁵

164
- 77955588117
- A. J. Florence, J. Bardin, B. Johnston, N. Shankland, T. A. N. Griffin, K. Shankland, Zeitschr. f. Kristallographie Suppl. 2009, 30, 215.
- (2009) Zeitschr. F. Kristallographie Suppl. , vol.30 , pp. 215
- Florence, A.J.¹ Bardin, J.² Johnston, B.³ Shankland, N.⁴ Griffin, T.A.N.⁵ Shankland, K.⁶

165
- 6344278698
- V. Brodski, R. Peschar, H. Schenk, A. Brinkmann, E. R. H. van Eck, A. P. M. Kentgens, B. Coussens, A. Braam, J. Phys. Chem. B 2004, 108, 15069.
- (2004) J. Phys. Chem. B , vol.108 , pp. 15069
- Brodski, V.¹ Peschar, R.² Schenk, H.³ Brinkmann, A.⁴ Van Eck, E.R.H.⁵ Kentgens, A.P.M.⁶ Coussens, B.⁷ Braam, A.⁸

166
- 78649755040
- H. Weiss, M. F. Bräu, Angew. Chem. 2009, 121, 3572;
- (2009) Angew. Chem. , vol.121 , pp. 3572
- Weiss, H.¹ Bräu, M.F.²

167
- 70349973009
- Angew. Chem. Int. Ed. 2009, 48, 3520.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 3520

168
- 0038543744
- P. Jeschke, K. Moriya, R. Lantzsch, H. Seifert, W. Lindner, K. Jelich, A. Göhrt, M. E. Beck, W. Etzel, Bayer Pflanzenschutz Nachr. 2001, 54, 147.
- (2001) Bayer Pflanzenschutz Nachr. , vol.54 , pp. 147
- Jeschke, P.¹ Moriya, K.² Lantzsch, R.³ Seifert, H.⁴ Lindner, W.⁵ Jelich, K.⁶ Göhrt, A.⁷ Beck, M.E.⁸ Etzel, W.⁹

169
- 77951980173
- E. G. Ijpeij, B. Coussens, M. A. Zuideveld, G. H. J. van Doemaele, P. Mountford, M. Lutz, A. L. Speck, Chem. Commun. 2010, 46, 3339.
- (2010) Chem. Commun. , vol.46 , pp. 3339
- Ijpeij, E.G.¹ Coussens, B.² Zuideveld, M.A.³ Van Doemaele, G.H.J.⁴ Mountford, P.⁵ Lutz, M.⁶ Speck, A.L.⁷

170
- 0032747269
- R. Duchateau, R. J. Harmsen, H. C. L. Abbenhuis, R. A. van Santen, S. K.-H. Thiele, M. Kranenburg, Chem. Eur. J. 1999, 5, 3130.
- (1999) Chem. Eur. J. , vol.5 , pp. 3130
- Duchateau, R.¹ Harmsen, R.J.² Abbenhuis, H.C.L.³ Van Santen, R.A.⁴ Thiele, S.K.-H.⁵ Kranenburg, M.⁶

171
- 84919368505
- A. Christiansen, C. Li, M. Garland, D. Selent, R. Ludwig, A. Spannenberg, W. Baumann, R. Franke, A. Börner, Eur. J. Org. Chem. 2010, 2374.
- (2010) Eur. J. Org. Chem. , pp. 2374
- Christiansen, A.¹ Li, C.² Garland, M.³ Selent, D.⁴ Ludwig, R.⁵ Spannenberg, A.⁶ Baumann, W.⁷ Franke, R.⁸ Börner, A.⁹

172
- 77957265201
- X. Chen, M. A. Rickard, J. W. Hull, C. Zheng, A. Leugers, P. Simoncic, Inorg. Chem. 2010, 49, 8684.
- (2010) Inorg. Chem. , vol.49 , pp. 8684
- Chen, X.¹ Rickard, M.A.² Hull, J.W.³ Zheng, C.⁴ Leugers, A.⁵ Simoncic, P.⁶

173
- 24044482290
- A. R. McInroy, D. T. Lundie, J. M. Winfield, C. C. Dudman, P. Jones, S. F. Parker, J. W. Taylor, D. Lennon, Phys. Chem. Chem. Phys. 2005, 7, 3093.
- (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3093
- McInroy, A.R.¹ Lundie, D.T.² Winfield, J.M.³ Dudman, C.C.⁴ Jones, P.⁵ Parker, S.F.⁶ Taylor, J.W.⁷ Lennon, D.⁸

174
- 80052438992
- D. Selent, R. Franke, C. Kubis, A. Spannenberg, W. Baumann, B. Kreidler, A. Börner, Organometallics 2011, 30, 4509.
- (2011) Organometallics , vol.30 , pp. 4509
- Selent, D.¹ Franke, R.² Kubis, C.³ Spannenberg, A.⁴ Baumann, W.⁵ Kreidler, B.⁶ Börner, A.⁷

175
- 0032568746
- E. Koglin, D. Koglin, R. Meier, S. van Heel, Chem. Phys. Lett. 1998, 290, 99.
- (1998) Chem. Phys. Lett. , vol.290 , pp. 99
- Koglin, E.¹ Koglin, D.² Meier, R.³ Van Heel, S.⁴

176
- 0000730883
- R. J. Meier, H. Vansweefelt, Polymer 1995, 36, 3825.
- (1995) Polymer , vol.36 , pp. 3825
- Meier, R.J.¹ Vansweefelt, H.²

177
- 0002516458
- (a) A. Tarazona, E. Koglin, B. B. Coussens, R. J. Meier, Vib. Spectrosc. 1997, 14, 159;
- (1997) Vib. Spectrosc. , vol.14 , pp. 159
- Tarazona, A.¹ Koglin, E.² Coussens, B.B.³ Meier, R.J.⁴

178
- 0032864749
- E. Koglin, R. Meier, Comput. Theor. Polym. Sci. 1999, 9, 327.
- (1999) Comput. Theor. Polym. Sci. , vol.9 , pp. 327
- Koglin, E.¹ Meier, R.²

179
- 0000692647
- R. J. Meier, E. Koglin, Vib. Spectrosc. 1999, 20, 151.
- (1999) Vib. Spectrosc. , vol.20 , pp. 151
- Meier, R.J.¹ Koglin, E.²

180
- 0043238457
- R. J. Meier, Polymer 2002, 43, 517.
- (2002) Polymer , vol.43 , pp. 517
- Meier, R.J.¹

181
- 33748762290
- H. Sato, J. Dybal, R. Murakami, I. Noda, Y. Ozaki, J. Mol. Struct. 2005, 35, 744.
- (2005) J. Mol. Struct. , vol.35 , pp. 744
- Sato, H.¹ Dybal, J.² Murakami, R.³ Noda, I.⁴ Ozaki, Y.⁵

182
- 33644765757
- (a) Y. Nishikawa, T. Nakano, I. Noda, Appl. Spectroscopy 2006, 60, 145;
- (2006) Appl. Spectroscopy , vol.60 , pp. 145
- Nishikawa, Y.¹ Nakano, T.² Noda, I.³

183
- 34548154571
- Y. Nishikawa, T. Nakano, I. Noda, Appl. Spectroscopy 2007, 61, 873.
- (2007) Appl. Spectroscopy , vol.61 , pp. 873
- Nishikawa, Y.¹ Nakano, T.² Noda, I.³

184
- 77952490502
- (a) S. Radice, E. di Dedda, C. Tonelli, R. della Pergola, A. Milani, C. Castiglioni, J. Phys. Chem. B 2010, 114, 6332;
- (2010) J. Phys. Chem. B , vol.114 , pp. 6332
- Radice, S.¹ Di Dedda, E.² Tonelli, C.³ Della Pergola, R.⁴ Milani, A.⁵ Castiglioni, C.⁶

185
- 84855820817
- A. Milani, J. Zanetti, C. Castiglioni, E. di Dedda, S. Radice, C. Canil, C. Tonelli, Eur. Polym. J. 2012, 48, 391.
- (2012) Eur. Polym. J. , vol.48 , pp. 391
- Milani, A.¹ Zanetti, J.² Castiglioni, C.³ Di Dedda, E.⁴ Radice, S.⁵ Canil, C.⁶ Tonelli, C.⁷

186
- 77954834518
- A. Milani, C. Castiglioni, E. di Dedda, S. Radice, D. Canil, A. di Meo, R. Picozzi, C. Tonelli, Polymer 2010, 51, 2597.
- (2010) Polymer , vol.51 , pp. 2597
- Milani, A.¹ Castiglioni, C.² Di Dedda, E.³ Radice, S.⁴ Canil, D.⁵ Di Meo, A.⁶ Picozzi, R.⁷ Tonelli, C.⁸

187
- 0347765756
- (a) S. Radice, P. Toniolo, E. Barchiesi, P. A. Guarda, M. Tommasini, C. Castiglioni, J. Fluorine Chem. 2004, 125, 151;
- (2004) J. Fluorine Chem. , vol.125 , pp. 151
- Radice, S.¹ Toniolo, P.² Barchiesi, E.³ Guarda, P.A.⁴ Tommasini, M.⁵ Castiglioni, C.⁶

188
- 77954214073
- S. Radice, M. Tommasini, C. Castiglioni, J. Mol. Struct. 2010, 974, 73.
- (2010) J. Mol. Struct. , vol.974 , pp. 73
- Radice, S.¹ Tommasini, M.² Castiglioni, C.³

189
- 33645387524
- M. Tommasini, C. Castiglioni, A. Milani, G. Zerbi, S. Radice, P. Toniolo, C. Grossi, R. Picozzi, A. di Meo, C. Tonelli, J. Fluorine Chem. 2006, 127, 320.
- (2006) J. Fluorine Chem. , vol.127 , pp. 320
- Tommasini, M.¹ Castiglioni, C.² Milani, A.³ Zerbi, G.⁴ Radice, S.⁵ Toniolo, P.⁶ Grossi, C.⁷ Picozzi, R.⁸ Di Meo, A.⁹ Tonelli, C.¹⁰

190
- 79961021309
- M. Danilczuk, L. Lin, S. Schlick, S. J. Hamrock, M. S. Schalberg, J. Power Sources 2011, 196, 8216.
- (2011) J. Power Sources , vol.196 , pp. 8216
- Danilczuk, M.¹ Lin, L.² Schlick, S.³ Hamrock, S.J.⁴ Schalberg, M.S.⁵

191
- 0036434460
- D. J. Giesen, N. Zumbulyadis, Phys. Chem. Chem. Phys. 2002, 4, 5498.
- (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 5498
- Giesen, D.J.¹ Zumbulyadis, N.²

192
- 11144346921
- E. Koglin, E. G. Witte, S. Willbold, R. J. Meier, THEOCHEM 2004, 712, 233.
- (2004) Theochem , vol.712 , pp. 233
- Koglin, E.¹ Witte, E.G.² Willbold, S.³ Meier, R.J.⁴

193
- 34247882632
- J. W. Wiench, Y. S. Avadhut, N. Maity, S. Bhaduri, G. K. Lahiri, M. Pruski, S. Ganapathy, J. Phys. Chem. B 2007, 111, 3877.
- (2007) J. Phys. Chem. B , vol.111 , pp. 3877
- Wiench, J.W.¹ Avadhut, Y.S.² Maity, N.³ Bhaduri, S.⁴ Lahiri, G.K.⁵ Pruski, M.⁶ Ganapathy, S.⁷

194
- 80052038991
- A. Tanaka, K. Nakashima, Magn. Reson. Chem. 2011, 49, 603.
- (2011) Magn. Reson. Chem. , vol.49 , pp. 603
- Tanaka, A.¹ Nakashima, K.²

195
- 79952192982
- A. Tanaka, K. Nakashima, Y. Miura, Tetrahedron 2011, 67, 2260.
- (2011) Tetrahedron , vol.67 , pp. 2260
- Tanaka, A.¹ Nakashima, K.² Miura, Y.³

196
- 33746379091
- S. Yokojima, K. Matsuda, M. Irie, A. Murakami, T. Kobayashi, S. Nakamura, J. Phys. Chem. A 2006, 110, 8137.
- (2006) J. Phys. Chem. A , vol.110 , pp. 8137
- Yokojima, S.¹ Matsuda, K.² Irie, M.³ Murakami, A.⁴ Kobayashi, T.⁵ Nakamura, S.⁶

197
- 0001606977
- R. J. Meier, A. P. Pijpers, Theor. Chim. Acta 1989, 75, 261.
- (1989) Theor. Chim. Acta , vol.75 , pp. 261
- Meier, R.J.¹ Pijpers, A.P.²

198
- 0031142509
- A. Tarazona, E. Koglin, A. P. Pijpers, R. J. Meier, Polymer 1997, 38, 2615.
- (1997) Polymer , vol.38 , pp. 2615
- Tarazona, A.¹ Koglin, E.² Pijpers, A.P.³ Meier, R.J.⁴

199
- 0842341771
- M. S. Dewar, E. G. Zoebisch, E. F. Healy, J. J. P. Stewart, J. Am. Chem. Soc. 1985, 107, 3902.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

200
- 0002845958
- C. Sleigh, A. P. Pijpers, A. Jaspers, B. Coussens, R. J. Meier, J. Electron Spectrosc. Relat. Phenom. 1996, 77, 41.
- (1996) J. Electron Spectrosc. Relat. Phenom. , vol.77 , pp. 41
- Sleigh, C.¹ Pijpers, A.P.² Jaspers, A.³ Coussens, B.⁴ Meier, R.J.⁵

201
- 0035959666
- A. W. Ehlers, C. G. de Koster, R. J. Meier, K. Lammertsma, J. Phys. Chem. A 2001, 105, 8691.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8691
- Ehlers, A.W.¹ De Koster, C.G.² Meier, R.J.³ Lammertsma, K.⁴

202
- 0043028844
- H. Cheng, P. A. C. Clark, S. D. Hanton, P. Kung, J. Phys. Chem. A 2000, 104, 2641.
- (2000) J. Phys. Chem. A , vol.104 , pp. 2641
- Cheng, H.¹ Clark, P.A.C.² Hanton, S.D.³ Kung, P.⁴

203
- 33745778149
- Springer Berlin
- M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, E. K. U. Gross, Eds. Time Dependent Density Fuctional Theory, Springer, Berlin, 2006.
- (2006) Time Dependent Density Fuctional Theory
- Marques, M.A.L.¹ Ullrich, C.A.² Nogueira, F.³ Rubio, A.⁴ Burke, K.⁵ Gross, E.K.U.⁶

204
- 0034253705
- D. Guillaumont, S. Nakamura, Dyes and Pigments 2000, 46, 85.
- (2000) Dyes and Pigments , vol.46 , pp. 85
- Guillaumont, D.¹ Nakamura, S.²

205
- 0038786660
- R. L. Waterland, K. D. Dobbs, A. M. Rinehart, A. E. Feiring, R. C. Wheland, B. E. Smart, J. Fluorine Chem. 2003, 122, 37.
- (2003) J. Fluorine Chem. , vol.122 , pp. 37
- Waterland, R.L.¹ Dobbs, K.D.² Rinehart, A.M.³ Feiring, A.E.⁴ Wheland, R.C.⁵ Smart, B.E.⁶

206
- 0001475454
- (a) C. Adamo, V. Barone, J. Chem. Phys. 1999, 110, 6158;
- (1999) J. Chem. Phys. , vol.110 , pp. 6158
- Adamo, C.¹ Barone, V.²

207
- 4243943295
- J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

208
- 9244248597
- V. Pawlowski, H. Kunkely, C. Lennartz, K. Böhn, A. Vogler, Eur. J. Inorg. Chem. 2004, 4242.
- (2004) Eur. J. Inorg. Chem. , vol.4242
- Pawlowski, V.¹ Kunkely, H.² Lennartz, C.³ Böhn, K.⁴ Vogler, A.⁵

209
- 23744509129
- V. Pawlowski, G. Knör, C. Lennartz, A. Vogler, Eur. J. Inorg. Chem. 2005, 3167.
- (2005) Eur. J. Inorg. Chem. , vol.3167
- Pawlowski, V.¹ Knör, G.² Lennartz, C.³ Vogler, A.⁴

210
- 33751371024
- P. Erk, M. Bold, M. Egen, E. Fuchs, T. Geßner, K. Kahle, C. Lennartz, O. Molt, S. Nord, H. Reichelt, C. Schildknecht, H.-H. Johannes, W. Kowalsky, SID Symposium Digest of Technical Papers 2006, 37, 131.
- (2006) SID Symposium Digest of Technical Papers , vol.37 , pp. 131
- Erk, P.¹ Bold, M.² Egen, M.³ Fuchs, E.⁴ Geßner, T.⁵ Kahle, K.⁶ Lennartz, C.⁷ Molt, O.⁸ Nord, S.⁹ Reichelt, H.¹⁰ Schildknecht, C.¹¹ Johannes, H.-H.¹² Kowalsky, W.¹³

211
- 78649876876
- H. Sasabe, J Takamatsu, T. Motoyama, S. Watanabe, G. Wagenblast, N. Langer, O. Molt, E. Fuchs, C. Lennartz, J. Kido, Adv. Mater. 2010, 22, 5003.
- (2010) Adv. Mater. , vol.22 , pp. 5003
- Sasabe, H.¹ Takamatsu, J.² Motoyama, T.³ Watanabe, S.⁴ Wagenblast, G.⁵ Langer, N.⁶ Molt, O.⁷ Fuchs, E.⁸ Lennartz, C.⁹ Kido, J.¹⁰

212
- 84890412134
- J. M. Younker, K. D. Dobbs, J. Phys. Chem. C 2013, 117, 25714.
- (2013) J. Phys. Chem. C , vol.117 , pp. 25714
- Younker, J.M.¹ Dobbs, K.D.²

213
- 76649130903
- K. Tsuchiya, S. Yagai, A. Kitamura, T. Karatsu, K. Endo, J. Mizukami, S. Akiyama, M. Yabe, Eur. J. Inorg. Chem. 2010, 926.
- (2010) Eur. J. Inorg. Chem. , vol.926
- Tsuchiya, K.¹ Yagai, S.² Kitamura, A.³ Karatsu, T.⁴ Endo, K.⁵ Mizukami, J.⁶ Akiyama, S.⁷ Yabe, M.⁸

214
- 0037175348
- Y.-K. Han, S. U. Lee, Chem. Phys. Lett. 2002, 366, 9.
- (2002) Chem. Phys. Lett. , vol.366 , pp. 9
- Han, Y.-K.¹ Lee, S.U.²

215
- 0002269160
- A. D. Bacon, M. C. Zerner, Theor. Chim. Acta 1979, 53, 21.
- (1979) Theor. Chim. Acta , vol.53 , pp. 21
- Bacon, A.D.¹ Zerner, M.C.²

216
- 84855334406
- A. Ojala, A. Petersen, A. Fuchs, R. Lovrincic, C. Pölking, J. Trollmann, J. Hwang, C. Lennartz, H. Reichelt, H. W. Höffken, A. Pucci, P. Erk, T. Kirchartz, F. Würthner, Adv. Funct. Mater. 2012, 22, 86.
- (2012) Adv. Funct. Mater. , vol.22 , pp. 86
- Ojala, A.¹ Petersen, A.² Fuchs, A.³ Lovrincic, R.⁴ Pölking, C.⁵ Trollmann, J.⁶ Hwang, J.⁷ Lennartz, C.⁸ Reichelt, H.⁹ Höffken, H.W.¹⁰ Pucci, A.¹¹ Erk, P.¹² Kirchartz, T.¹³ Würthner, F.¹⁴

217
- 84868674203
- T. van Regemorter, M. Guillaume, A. Fuchs, C. Lennartz, V. Geskin, D. Beljonne, J. Cornil, J. Chem. Phys. 2012, 137, 174708.
- (2012) J. Chem. Phys. , vol.137 , pp. 174708
- Van Regemorter, T.¹ Guillaume, M.² Fuchs, A.³ Lennartz, C.⁴ Geskin, V.⁵ Beljonne, D.⁶ Cornil, J.⁷

218
- 40149109196
- (a) J.-D. Chai, M. Head-Gordon, J. Chem. Phys. 2008, 128, 084106;
- (2008) J. Chem. Phys. , vol.128 , pp. 084106
- Chai, J.-D.¹ Head-Gordon, M.²

219
- 55849117399
- J.-D. Chai, M. Head-Gordon, Phys. Chem. Chem. Phys. 2008, 10, 6615.
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 6615
- Chai, J.-D.¹ Head-Gordon, M.²

220
- 1542347925
- M. J. Paterson, M. A. Robb, L. Blancafort, A. D. DeBellis, J. Am. Chem. Soc. 2004, 126, 2912.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 2912
- Paterson, M.J.¹ Robb, M.A.² Blancafort, L.³ Debellis, A.D.⁴

221
- 26144444377
- P. Celani, M. A. Robb, M. Garavelli, F. Bernardi, M. Olivucci, Chem.Phys. Lett. 1995, 243, 1.
- (1995) Chem.Phys. Lett. , vol.243 , pp. 1
- Celani, P.¹ Robb, M.A.² Garavelli, M.³ Bernardi, F.⁴ Olivucci, M.⁵

222
- 24944561009
- M. J. Paterson, M. A. Robb, L. Blancafort, A. D. DeBellis, J. Phys. Chem. A 2005, 109, 7527.
- (2005) J. Phys. Chem. A , vol.109 , pp. 7527
- Paterson, M.J.¹ Robb, M.A.² Blancafort, L.³ Debellis, A.D.⁴

223
- 44449083378
- A. Migani, L. Blancafort, M. A. Robb, A. D. DeBellis, J. Am. Chem. Soc. 2008, 130, 6932.
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 6932
- Migani, A.¹ Blancafort, L.² Robb, M.A.³ Debellis, A.D.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.