SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 124, Issue 20, 2002, Pages 5865-5880

Electron delocalization in acyclic and N-heterocyclic carbenes and their complexes: A combined experimental and theoretical charge-density study

(7) Tafipolsky, Maxim a Scherer, Wolfgang a Öfele, Karl a Artus, Georg a Pedersen, Bjørn a Herrmann, Wolfgang A a McGrady, G Sean b

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

b KING'S COLLEGE LONDON (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DELOCALIZATION;

CHEMICAL BONDS; COMPLEXATION; ELECTRONS; TOPOLOGY;

NITROGEN COMPOUNDS;

1,2 DIMETHYLPYRAZOL 3 YLIDENE; 1,3 DIMETHYLIMIDAZOL 2 YLIDENE; CARBENE; HETEROCYCLIC COMPOUND; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRON; MOLECULAR DYNAMICS;

EID: 0037157118 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja011761k Document Type: Article

Times cited : (170)

References (157)

1
- 0000419378
- (1997) Angew. Chem. , vol.109 , pp. 2256-2282
- Herrmann, W.A.¹ Kröcher, C.²

2
- 0030660076
- (1997) Angew. Chem., Int. Ed. Engl. , vol.36 , pp. 2162-2187

3
- 0002893108
- (2000) J. Organomet. Chem. , vol.600 , pp. 12-22
- Weskamp, T.¹ Böhm, V.P.W.² Herrmann, W.A.³

4
- 0002138516
- (2000) Chem. Rev. , vol.100 , pp. 39-91
- Bourissou, D.¹ Guerret, O.² Gabbaï, F.P.³ Bertrand, G.⁴

5
- 0037090932
- (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 1290-1309
- Herrmann, W.A.¹

6
- 65649098906
- (1996) Chem.-Eur. J. , vol.2 , pp. 1627-1636
- Herrmann, W.A.¹ Köcher, C.² Gooen, L.J.³ Artus, G.R.⁴

7
- 0000602884
- (1995) Angew. Chem. , vol.107 , pp. 2602-2605
- Herrmann, W.A.¹ Elison, M.² Fischer, J.³ Köcher, C.⁴ Artus, G.R.⁵

8
- 33749349096
- (1995) Angew. Chem. Int. Ed. Engl. , vol.34 , pp. 2371-2374

9
- 0001498394
- (1995) Organometallics , vol.14 , pp. 1085-1086
- Herrmann, W.A.¹ Roesky, P.W.² Elison, M.³ Artus, G.R.⁴ Öfele, K.⁵

10
- 0001524767
- (1996) Angew. Chem. , vol.108 , pp. 2980-2982
- Herrmann, W.A.¹ Gooen, L.J.² Köcher, C.³ Artus, G.R.⁴

11
- 0030512868
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 2805-2807

12
- 0001433830
- (1998) Angew. Chem. , vol.110 , pp. 2631-2633
- Weskamp, T.¹ Schattenmann, W.C.² Spiegler, M.³ Herrmann, W.A.⁴

13
- 0032476166
- (1998) Angew. Chem. Int. Ed. , vol.37 , pp. 2490-2493

14
- 0001587279
- (1999) Angew. Chem. , vol.111 , pp. 2573-2576
- Weskamp, T.¹ Kohl, F.J.² Hieringer, W.³ Gleich, D.⁴ Herrmann, W.A.⁵

15
- 0033549782
- (1999) Angew Chem Int Ed. , vol.38 , pp. 2416-2419

16
- 0000201772
- (1999) J. Organomet. Chem. , vol.586 , pp. 263-265
- Frenzel, U.¹ Weskamp, T.² Kohl, F.J.³ Schattenmann, W.C.⁴ Nuyken, O.⁵ Herrmann, W.A.⁶

17
- 0033603294
- (1999) Tetrahedron Lett. , vol.40 , pp. 4787-4790
- Ackermann, L.¹ Fürstner, A.² Weskamp, T.³ Kohl, F.J.⁴ Herrmann, W.A.⁵

18
- 0001742407
- (1968) Angew. Chem. , vol.80 , pp. 154-155
- Wanzlick, H.-W.¹ Schönherr, H.-J.²

19
- 84981776828
- (1968) Angew. Chem., Int. Ed. Engl. , vol.7 , pp. 141-142

20
- 4244006126
- (1968) J. Organomet. Chem. , vol.12
- Öfele, K.¹

21
- 0032723198
- and references therein
- (1999) Acc. Chem. Res. , vol.32 , pp. 913-921
- Arduengo A.J. III¹

22
- 0001616726
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 2691-2692
- Denk, M.¹ Lennon, R.² Hayashi, R.³ West, R.⁴ Belyakov, A.V.⁵ Verne, H.-P.⁶ Haaland, A.⁷ Wagner, M.⁸ Metzler, N.⁹

23
- 0001634009
- (1992) Angew. Chem. , vol.104 , pp. 1489-1492
- Herrmann, W.A.¹ Denk, M.² Behm, J.³ Scherer, W.⁴ Klingan, F.-R.⁵ Bock, H.⁶ Solouki, B.⁷ Wagner, M.⁸

24
- 33745344889
- (1992) Angew. Chem., Int. Ed. Engl. , vol.31 , pp. 1485-1488

25
- 0000038315
- (1995) Angew. Chem. , vol.107 , pp. 1119-1122
- Enders, D.¹ Breuer, K.² Raabe, G.³ Runsink, J.⁴ Teles, J.H.⁵ Melder, J.-P.⁶ Ebel, K.⁷ Brode, S.⁸

26
- 33750386593
- (1995) Angew. Chem., Int. Ed. Eng. , vol.34 , pp. 1021-1023

27
- 0001602606
- (1996) Angew. Chem. , vol.108 , pp. 1211-1213
- Alder, R.W.¹ Allen, P.R.² Murray, M.³ Orpen, A.G.⁴

28
- 33748242162
- (1996) Angew. Chem., Int. Ed. Engl. , vol.35 , pp. 1121-1123

29
- 0030070994
- (1996) Tetrahedron Lett. , vol.37 , pp. 149-152
- Sauers, R.R.¹

30
- 0028070260
- (1994) Tetrahedron Lett. , vol.35 , pp. 7213-7216
- Sauers, R.R.¹

31
- 0032508922
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 11526-11527
- Alder, W.R.¹ Butts, C.P.² Orpen, A.G.³

32
- 84990735921
- (1993) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.27 , pp. 309-319
- Cioslowski, J.¹

33
- 0000609382
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 6812-6822
- Arduengo A.J. III¹ Dias, H.V.R.² Dixon, D.A.³ Harlow, L.R.⁴ Klooster, W.T.⁵ Koetzle, T.F.⁶

34
- 0000142057
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 6641-6649
- Arduengo A.J. III¹ Bock, H.² Chen, H.³ Denk, M.⁴ Dixon, D.A.⁵ Green, J.C.⁶ Herrmann, W.A.⁷ Jones, N.L.⁸ Wagner, M.⁹ West, R.¹⁰

35
- 0000978931
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 6361-6367
- Arduengo A.J. III¹ Dixon, D.A.² Kumashiro, K.K.³ Lee, C.⁴ Power, W.P.⁵ Zilm, K.W.⁶

36
- 0029875262
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 2039-2046
- Boehme, C.¹ Frenking, G.²

37
- 0029987178
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 2023-2038
- Heinemann, C.¹ Müller, T.² Apeloig, Y.³ Schwarz, H.⁴

38
- 0001191640
- (1999) Organometallics , vol.18 , pp. 1862-1872
- Lehmann, J.F.¹ Urquhart, S.G.² Ennis, L.E.³ Hitchcock, A.P.⁴ Hatano, K.⁵ Gupta, S.⁶ Denk, M.K.⁷

39
- 43949151008
- (1994) Chem. Phys. Lett. , vol.217 , pp. 11-16
- Heinemann, C.¹ Thiel, W.²

40
- 0002604890
- (1994) J. Organomet. Chem. , vol.475 , pp. 73-84
- Heinemann, C.¹ Herrmann, W.A.² Thiel, W.³

41
- 33751500487
- (1991) J. Phys. Chem. , vol.95 , pp. 4180-4182
- Dixon, D.A.¹ Arduengo A.J. III²

42
- 0001286592
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 361-363
- Arduengo A.J. III¹ Harlow, L.R.² Kline, M.³

43
- 36148995600
- (1985) J. Chem. Phys. , vol.83 , pp. 735-746
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

44
- 0011083499
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

45
- 2142769362
- see ref 76
- Gaussian NBO Version 3.1

46
- 0004157499
- Oxford University Press: Oxford U.K.
- (1990) Atoms in Molecules - A Quantum Theory
- Bader, R.F.W.¹

47
- 84988097359
- (1989) J. Comput. Chem. , vol.10 , pp. 367-375
- Boyd, R.J.¹ Wang, L.-C.²

48
- 0001528490
- (1994) Chem. Phys. Lett. , vol.225 , pp. 285-292
- Laidig, K.E.¹

49
- 0032564853
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 1447-1455
- Macchi, P.¹ Proserpio, D.M.² Sironi, A.³

50
- 0032583560
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 13429-13435
- Macchi, P.¹ Proserpio, D.M.² Sironi, A.³

51
- 0032556450
- (1998) J. Chem. Soc., Chem. Commun. , pp. 2471-2472
- Scherer, W.¹ Hieringer, W.² Spiegler, M.³ Sirsch, P.⁴ McGrady, G.S.⁵ Downs, A.J.⁶ Haaland, A.⁷ Pedersen, B.⁸

52
- 0002742565
- (1997) J. Chem. Soc., Dalton Trans. , pp. 2227-2240
- Iversen, B.B.¹ Larsen, F.K.² Figgis, B.N.³ Reynolds, P.A.⁴

53
- 0035846420
- (2001) J. Phys. Chem. , vol.A105 , pp. 9231-9242
- Macchi, P.¹ Schultz, A.J.² Larsen, F.K.³ Iversen, B.B.⁴

54
- 0031276949
- (1997) J. Phys. Chem. , vol.A101 , pp. 8887-8901
- Wang, C.-C.¹ Wang, Y.² Liu, H.-J.³ Lin, K.-J.⁴ Chou, L.-K.⁵ Chan, K.-S.⁶

55
- 75649141861
- (1983) Naturforsch. , vol.B38 , pp. 1313-1324
- Ackermann, K.¹ Hofmann, P.² Köhler, F.H.³ Kratzer, H.⁴ Krist, H.⁵ Öfele, K.⁶ Schmidt, H.R.Z.⁷

56
- 0000613635
- (1997) Polyhedron , vol.16 , pp. 3879-3892
- Danopoulos, A.A.¹ Hankin, D.M.² Wilkinson, G.³ Cafferkey, S.M.⁴ Sweet, T.K.N.⁵ Hursthouse, M.B.⁶

57
- 2142750731
- note

58
- 2142770811
- note

59
- 2142766476
- note

60
- 2142819110
- note

61
- 0021098228
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 426-434
- Nakatsuji, H.¹ Ushio, J.² Han, S.³ Yonezawa, T.⁴

62
- 0000754298
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 1576-1584
- Taylor, T.E.¹ Hall, M.B.²

63
- 0001631634
- (1995) Organometallics , vol.14 , pp. 224-230
- Jacobsen, H.¹ Ziegler, T.²

64
- 0031823143
- (1998) Chem. -Eur. J. , vol.4 , pp. 1428-1438
- Vyboishchikov, S.F.¹ Frenking, G.²

65
- 54949156850
- (1998) Organometallics , vol.17 , pp. 5801-5809
- Boehme, C.¹ Frenking, G.²

66
- 0000933792
- (1992) Chem. Phys. Lett. , vol.195 , pp. 500-504
- Maseras, F.¹ Morokuma, K.²

67
- 0003818422
- VCH Publishers: Weinheim Germany
- (1984) Transition Metal Carbene Complexes
- Fischer, H.¹ Kreissl, F.R.² Schubert, U.³ Hofmann, P.⁴ Dötz, K.H.⁵ Weiss, K.⁶

68
- 0001367518
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7918-7924
- Rees, B.¹ Mitschler, A.²

69
- 2142810690
- note

70
- 0004039398
- IUCr Texts on Crystallography; Oxford University Press: Oxford
- (1997) X-ray Charge Densities and Chemical Bonding
- Coppens, P.¹

71
- 0003478830
- Institute of Physics Publishing: Bristol
- (1996) Electron Density and Bonding in Crystals
- Tsirelson, V.G.¹ Ozerov, R.P.²

72
- 0035354583
- (2001) Chem. Rev. , vol.101 , pp. 1583-1628
- Koritsanszky, T.S.¹ Coppens, P.²

73
- 0001114780
- Hinchliffe, A., Ed.; Royal Society of Chemistry Specialist Periodical Report, Chapter 3
- (2000) Chemical Modelling: Applications and Theory , vol.1 , pp. 143-198
- Popelier, P.L.A.¹ Aicken, F.² O'Brien, S.E.³

74
- 0000971523
- (1984) Croat. Chem. Acta , vol.56 , pp. 1259-1281
- Cremer, D.¹ Kraka, E.²

75
- 0001565014
- (1984) Angew. Chem. , vol.9 , pp. 612-613
- Cremer, D.¹ Kraka, E.²

76
- 84985611078
- (1984) Angew. Chem., Int. Ed. Engl , vol.23 , pp. 627-628

77
- 2142699140
- note

78
- 2142824762
- note

79
- 2142658467
- note

80
- 0005355447
- (1998) J. Phys. Chem. , vol.A102 , pp. 7314-7323
- Bader, R.F.W.¹

81
- 2142649801
- note

82
- 2142814841
- note

83
- 0001188150
- (1988) Chem. Phys. Lett. , vol.143 , pp. 450-458
- Cheeseman, J.R.¹ Carroll, M.T.² Bader, R.F.W.³

84
- 2142654079
- note

85
- 2142814840
- note

86
- 0000793016
- (1992) J. Phys. Chem. , vol.96 , pp. 671-679
- Wiberg, K.B.¹ Hadad, C.M.² LePage, T.J.³ Breneman, C.M.⁴ Frisch, M.J.⁵

87
- 2142707796
- note

88
- 0007169135
- (1996) J. Phys. Chem. , vol.100 , pp. 5274-5280
- Wang, J.¹ Eriksson, L.A.² Johnson, B.G.³ Boyd, R.J.⁴

89
- 1842665312
- (1994) J. Phys. Chem. , vol.98 , pp. 1844-1850
- Wang, J.¹ Eriksson, L.A.² Boyd, R.J.³ Shi, Z.⁴ Johnson, B.G.⁵

90
- 0001273366
- and references therein
- (1988) J. Chem. Phys. , vol.8 , pp. 3792-3804
- Gatti, C.¹ MacDougall, P.J.² Bader, R.F.W.³

91
- 2142700582
- note

92
- 0346598767
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6788-6795
- Bader, R.F.W.¹ MacDougall, P.J.²

93
- 0033833770
- and references therein
- (2000) Coord. Chem. Rev. , vol.19 , pp. 169-189
- Popelier, P.L.A.¹

94
- 13344288738
- (1989) J. Phys. Chem. , vol.93 , pp. 2946-2956
- Bader, R.F.W.¹ Chang, C.²

95
- 0000506493
- (1996) Angew. Chem. , vol.10 , pp. 539-560
- Gillespie, R.J.¹ Robinson, E.A.²

96
- 33749113333
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 495-514

97
- 0000687340
- (1996) Inorg. Chem. , vol.35 , pp. 3954-3963
- Gillespie, R.J.¹ Bytheway, I.² Tang, T.-H.³ Bader, R.F.W.⁴

98
- 0000756623
- (1998) Chem. Phys. Lett. , vol.290 , pp. 488-494
- Bader, R.F.W.¹ Gillespie, R.J.² Martin, F.³

99
- 2142704870
- note

100
- 36549100412
- (1990) J. Chem. Phys. , vol.9 , pp. 5397-5403
- Becke, A.D.¹ Edgecombe, K.E.²

101
- 0027946619
- (1994) Nature , vol.371 , pp. 683-686
- Silvi, B.¹ Savin, A.²

102
- 0000599410
- (1997) Angew. Chem. , vol.109 , pp. 1892-1918
- Savin, A.¹ Nesper, R.² Wengert, S.³ Fässler, T.F.⁴

103
- 0030773972
- (1997) Angew. Chem. Int. Ed. Engl. , vol.36 , pp. 1808-1832

104
- 0000343059
- (1992) Angew. Chem. , vol.104 , pp. 186-187
- Savin, A.¹ Jepsen, O.² Flad, J.³ Andersen, O.K.⁴ Preuss, H.⁵ Von Schnering, H.G.⁶

105
- 33745374559
- (1992) Angew. Chem., Int. Ed. Engl. , vol.31 , pp. 187-188

106
- 33748380919
- (1996) J. Phys. Chem. , vol.100 , pp. 15398-15415
- Bader, R.F.W.¹ Johnson, S.² Tang, T.-H.³ Popelier, P.L.A.⁴

107
- 2142709209
- note

108
- 0004142591
- Van Nostrand Reinhold: London
- (1972) Molecular Geometry
- Gillespie, R.J.¹

109
- 0003603208
- Allyn Bacon: Needham Heights, MA
- (1991) The VSEPR Model of Molecular Geometry
- Gillespie, R.J.¹ Hargittai, I.²

110
- 0000349216
- (2001) Angew. Chem. , vol.111 , pp. 3642-3677
- Kaupp, M.¹

111
- 0000896975
- (2001) Angew. Chem., Int. Ed. , vol.40 , pp. 3534-3565

112
- 0025574534
- (1990) Trans. Am. Cryst. Assoc. , vol.26 , pp. 105-123
- MacDougall, P.J.¹ Hall, M.B.²

113
- 0000895394
- (1998) Inorg. Chem. , vol.37 , pp. 6317-6328
- Abramov Yu., A.¹ Brammer, L.² Klooster, W.T.³ Bullock, R.M.⁴

114
- 84987125189
- (1977) Int. J. Quantum Chem. , vol.12 , pp. 623-637
- Collard, K.¹ Hall, G.G.²

115
- 33646079254
- (1992) J. Mol. Struct. , vol.255 , pp. 145-171
- Bader, R.F.W.¹ Popelier, P.L.A.² Chang, C.³

116
- 33845185172
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8333-8336
- Cioslowski, J.¹

117
- 0034477426
- (2000) Acta Crystallogr. , vol.A56 , pp. 252-258
- Volkov, A.¹ Gatti, C.² Abramov, Yu.³ Coppens, P.⁴

118
- 13344288738
- (1989) J. Phys. Chem. , vol.93 , pp. 2946-2956
- Bader, R.F.W.¹ Chang, C.²

119
- 2142809322
- note

120
- 33748242162
- (1996) Angew. Chem., Int. Ed. Engl. , vol.35 , pp. 1121-1123
- Alder, R.W.¹ Allen, P.R.² Murray, M.³ Orpen, A.G.⁴

121
- 0348079661
- (1999) J. Phys. Chem. A , vol.103 , pp. 11200-11211
- Alder, W.R.¹ Blake, M.E.² Oliva, J.M.³

122
- 0001230356
- (1983) Angew. Chem. , vol.95 , pp. 419-420
- Fischer, E.O.¹ Reitmeier, R.²

123
- 84985574715
- (1983) Angew. Chem., Int. Ed. Engl. , vol.22 , pp. 411-412

124
- 0003763724
- (1998) "Collect" data collection software
- Nonius, B.V.¹

125
- 0031059866
- Part A; Carter, C.W., Jr., Sweet, R.M., Eds.; Academic Press: San Diego, CA
- (1997) Processing of X-ray Diffraction Data Collected in Oscillation Mode, Methods in Enzymology, Volume 276: Macromolecular Crystallography , vol.276 , pp. 307-326
- Otwinowski, Z.¹ Minor, W.²

126
- 84977289324
- (1995) Acta Crystallogr. , vol.A51 , pp. 33-38
- Blessing, R.H.¹

127
- 84944817198
- (1976) Acta Crystallogr. , vol.A32 , pp. 565-574
- Stewart, R.F.¹

128
- 84931270541
- (1978) Acta Crystallogr. , vol.A34 , pp. 909-921
- Hansen, H.K.¹ Coppens, P.²

129
- 0004340170
- unpublished
- Modifications to XD code
- Macchi, P.¹ Tafipolsky, M.²

130
- 0003401652
- Free University of Berlin: Germany, June
- (1997) XD, Computer Program Package for Multipole Refinement and Analysis of Electron Densities from Diffraction Data
- Koritsanszky, T.¹ Howard, S.T.² Su, Z.³ Mallinson, P.R.⁴ Richter, T.⁵ Hansen, N.⁶ Xd, K.⁷

131
- 5544317095
- (1993) At. Data Nucl. Data Tables , vol.53 , pp. 113-162
- Bunge, C.F.¹ Barrientos, J.A.² Bunge, A.V.³

132
- 0001147575
- (1999) J. Int. J. Quantum Chem. , vol.71 , pp. 491-497
- Koga, T.¹ Kanayama, K.² Watanabe, S.³ Thakkar, A.⁴

133
- 0016267973
- (1974) At. Data Nucl. Data Tables , vol.14 , pp. 177-478
- Clementi, E.¹ Roetti, C.²

134
- 9344228417
- (1963) J. Chem. Phys. , vol.38 , pp. 2686-2689
- Clementi, E.¹ Raimondi, D.L.²

135
- 0000801147
- (1983) Acta Crystallogr. , vol.A39 , pp. 377-387
- Holladay, A.¹ Leung, P.² Coppens, P.³

136
- 0000914758
- (1974) Acta Crystallogr. , vol.A30 , pp. 129-147
- Becker, P.¹ Coppens, P.²

137
- 0001447196
- (1975) Acta Crystallogr. , vol.B31 , pp. 162-172
- Harel, M.¹ Hirshfeld, F.L.²

138
- 84944816027
- (1976) Acta Crystallogr. , vol.A32 , pp. 239-244
- Hirshfeld, F.L.¹

139
- 33845278689
- (1988) J. Phys. Chem. , vol.92 , pp. 856-867
- Dunitz, J.D.¹ Schomaker, V.² Trueblood, K.N.³

140
- 0001367305
- (1988) Angew. Chem. , vol.100 , pp. 910-926
- Dunitz, J.D.¹ Maverick, E.F.² Trueblood, K.N.³

141
- 84990168633
- (1988) Angew. Chem., Int. Ed. Engl. , vol.27 , pp. 880-895

142
- 84977286098
- (1984) Acta Crystatlogr. , vol.B40 , pp. 387-397
- Chandrasekhar, K.¹ Bürgi, H.B.²

143
- 0001748025
- (1990) Acta Crystallogr. , vol.A46
- Spek, A.L.¹

144
- 0003562849
- Crystallographic Institute: University of Freiburg, Germany
- (1988) SCHAKAL
- Keller, E.¹

145
- 0000644450
- (1997) Acta Crystallogr. , vol.A53 , pp. 264-272
- Abramov, Y.A.¹

146
- 4243553426
- (1988) Phys. Rev. , vol.A38 , pp. 3098-3100
- Becke, A.D.¹

147
- 33645898818
- (1992) Phys. Rev. , vol.B45 , pp. 13244-13249
- Perdew, J.P.¹ Wang, Y.²

149
- 0001470765
- (1992) Can. J. Chem. , vol.70 , pp. 560-571
- Godbout, N.¹ Salahub, D.R.² Andzelm, J.³ Wimmer, E.⁴

150
- 0005867244
- (1970) J. Chem. Phys. , vol.52 , pp. 1033-1036
- Wachters, A.J.H.¹

151
- 26844534384
- (1980) J. Chem. Phys. , vol.72 , pp. 650-654
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

152
- 84986513726
- (1982) J. Comput. Chem. , vol.3 , pp. 317-328
- Biegler-König, F.W.¹ Bader, R.F.W.² Tang, T.³

153
- 0003822021
- McMaster University, Ontario, Canada
- (1994) AIMPAC program package
- Cheeseman, J.R.¹ Keith, T.A.² Bader, R.F.W.³

154
- 2142645607
- Ph.D. Thesis, McMaster University, Ontario, Canada
- (1993)
- Keith, T.A.¹

155
- 0034477426
- (2000) Acta Crystallogr. , vol.A56 , pp. 252-258
- Volkov, A.¹ Gatti, C.² Abramov, Yu.³ Coppens, P.⁴

156
- 0004176862
- Paris
- (1997) TopMod Package
- Noury, S.¹ Krokidis, X.² Fuster, F.³ Silvi, B.⁴

157
- 0004150157
- University of Göttingen, Germany
- (1997) Shelxl97. Program for crystal structure refinement
- Sheldrick, G.M.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.