SCOPUS 정보 검색 플랫폼

Volumn 6, Issue 1, 2004, Pages 11-22

Properties of WAu12

(8) Autschbach, Jochen a Hess, Bernd A a Johansson, Mikael P b Neugebauer, Johannes a Patzschke, Michael b Pyykkö, Pekka a,b Reiher, Markus a Sundholm, Dage a,b

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

b UNIVERSITY OF HELSINKI (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; TUNGSTEN;

ARTICLE; ATOM; CHEMICAL BOND; ELASTICITY; ELECTRIC FIELD; ELECTRICITY; ELECTRON; GAS; PROTON NUCLEAR MAGNETIC RESONANCE; SPECTRUM; VIBRATION; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 1642564655 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b310395a Document Type: Article

Times cited : (90)

References (72)

1
- 0037124690
- P. Pyykkö and N. Runeberg, Angew. Chem., Int. Ed. Engl., 2002, 41, 2174-2176.
- (2002) Angew. Chem., Int. Ed. Engl. , vol.41 , pp. 2174-2176
- Pyykkö, P.¹ Runeberg, N.²

2
- 0037122106
- X. Li, B. Kiran, J. Li, H.-J. Zhai and L.-S. Wang. Angew. Chem., Int. Ed. Engl., 2002, 41, 4786-4789.
- (2002) Angew. Chem., Int. Ed. Engl. , vol.41 , pp. 4786-4789
- Li, X.¹ Kiran, B.² Li, J.³ Zhai, H.-J.⁴ Wang, L.-S.⁵

3
- 4243539377
- R. Ahlrichs, M. Bär, M. Häser, H. Horn and C. Kölmel, Chem. Phys. Lett., 1989, 162, 165-169.
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165-169
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

4
- 0041006449
- University of Karlsruhe
- TURBOMOLE, University of Karlsruhe, http://www.turbo-mole.com/.
- TURBOMOLE

5
- 0012918529
- Vrije Universiteit, Amsterdam
- Amsterdam Density Functional Program, Vrije Universiteit, Amsterdam, http://www.scm.com/.
- Amsterdam Density Functional Program

6
- 0003474593
- STEF, Cagliari
- C. Fonseca Guerra, O. Visser, J. G. Snijders, G. te Velde and E. J. Baerends, in Methods and Techniques for Computational Chemistry. STEF, Cagliari, 1995.
- (1995) Methods and Techniques for Computational Chemistry
- Fonseca Guerra, C.¹ Visser, O.² Snijders, J.G.³ Te Velde, G.⁴ Baerends, E.J.⁵

7
- 20644438873
- G. te Velde, F. M. Bickelhaupt, E. J. Baerends, S. J. A. van Gisbergen, C. Fonseca Guerra, J. G. Snijders and T. Ziegler, J. Comput. Chem., 2001, 22, 931-967.
- (2001) J. Comput. Chem. , vol.22 , pp. 931-967
- Te Velde, G.¹ Bickelhaupt, F.M.² Baerends, E.J.³ Van Gisbergen, S.J.A.⁴ Fonseca Guerra, C.⁵ Snijders, J.G.⁶ Ziegler, T.⁷

8
- 11744322674
- D. Andrae, U. Häussermann, M. Dolg, H. Stoll and H. Preuss, Theor. Chim. Acta, 1990, 77, 123.
- (1990) Theor. Chim. Acta , vol.77 , pp. 123
- Andrae, D.¹ Häussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

9
- 4243553426
- A. D. Becke, Phys. Rev. A, 1988, 38, 3098-3100.
- (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
- Becke, A.D.¹

10
- 5944261746
- J. P. Perdew, Phys. Rev. B. 1986, 33, 8822-8824.
- (1986) Phys. Rev. B. , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

11
- 0000189651
- A. D. Becke, J. Chem. Phys., 1993, 98, 5648-5652.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

12
- 0345491105
- C. Lee, W. Yang and 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

13
- 0000216001
- S. H. Vosko, L. Wilk and 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

14
- 33751157732
- P. J. Stephens, F. J. Devlin, C. F. Chabalowski and M. J. Frisch, J. Phys. Chem., 1994, 98, 11623-11627.
- (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

15
- 22944484208
- K. Eichkorn, O. Treutler, H. Öhm, M. Häser and R. Ahlrichs, Chem. Phys. Lett., 1995, 240, 283-290.
- (1995) Chem. Phys. Lett. , vol.240 , pp. 283-290
- Eichkorn, K.¹ Treutler, O.² Öhm, H.³ Häser, M.⁴ Ahlrichs, R.⁵

16
- 0031285825
- K. Eichkorn, F. Weigend, O. Treutler and R. Ahlrichs, Theor. Chem. Acc., 1997, 97, 119-124.
- (1997) Theor. Chem. Acc. , vol.97 , pp. 119-124
- Eichkorn, K.¹ Weigend, F.² Treutler, O.³ Ahlrichs, R.⁴

17
- 10844225583
- O. Christiansen, H. Koch and P. Jørgensen, Chem. Phys. Lett., 1995, 243, 409-418.
- (1995) Chem. Phys. Lett. , vol.243 , pp. 409-418
- Christiansen, O.¹ Koch, H.² Jørgensen, P.³

18
- 0034301458
- C. Hättig and F. Weigend, J. Chem. Phys., 2000, 113, 5154-5161.
- (2000) J. Chem. Phys. , vol.113 , pp. 5154-5161
- Hättig, C.¹ Weigend, F.²

19
- 1542365896
- D. Feller, E. D. Glendening, D. E. Woon and M. W. Feyereisen, J. Chem. Phys., 1995, 103, 3526-3542.
- (1995) J. Chem. Phys. , vol.103 , pp. 3526-3542
- Feller, D.¹ Glendening, E.D.² Woon, D.E.³ Feyereisen, M.W.⁴

20
- 0030079225
- M. W. Feyereisen, D. Feller and D. A. Dixon, J. Phys. Chem., 1996, 100, 2993-2997.
- (1996) J. Phys. Chem. , vol.100 , pp. 2993-2997
- Feyereisen, M.W.¹ Feller, D.² Dixon, D.A.³

21
- 0031285839
- F. Weigend and M. Häser, Theor. Chem. Acc., 1997, 97, 331-340.
- (1997) Theor. Chem. Acc. , vol.97 , pp. 331-340
- Weigend, F.¹ Häser, M.²

22
- 0037109578
- C. Hättig and A. Kohn, J. Chem. Phys., 2002, 117, 6939-6951.
- (2002) J. Chem. Phys. , vol.117 , pp. 6939-6951
- Hättig, C.¹ Kohn, A.²

23
- 0039209924
- A. Schäfer, C. Huber and R. Ahlrichs, J. Chem. Phys., 1994, 100, 5829-5835.
- (1994) J. Chem. Phys. , vol.100 , pp. 5829-5835
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

24
- 0030833199
- P. Pyykkö, N. Runeberg and F. Mendizabal, Chem. Eur. J., 1997, 3, 1451-1457.
- (1997) Chem. Eur. J. , vol.3 , pp. 1451-1457
- Pyykkö, P.¹ Runeberg, N.² Mendizabal, F.³

25
- 0040759177
- F. Weigend, M. Häser, H. Patzelt and R. Ahlrichs, Chem. Phys. Lett., 1998, 294, 143-152.
- (1998) Chem. Phys. Lett. , vol.294 , pp. 143-152
- Weigend, F.¹ Häser, M.² Patzelt, H.³ Ahlrichs, R.⁴

26
- 0037880444
- E. van Lenthe, E. J. Baerends and J. G. Snijders, J. Chem. Phys., 1993, 99, 4597-4610.
- (1993) J. Chem. Phys. , vol.99 , pp. 4597-4610
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

27
- 0037833475
- E. van Lenthe and E. J. Baerends, J. Comp. Chem., 2003, 24, 1142-1156.
- (2003) J. Comp. Chem. , vol.24 , pp. 1142-1156
- Van Lenthe, E.¹ Baerends, E.J.²

28
- 0037099974
- J. Neugebauer, M. Reiher, C. Kind and B. A. Hess, J. Comput. Chem., 2002, 23, 895-910.
- (2002) J. Comput. Chem. , vol.23 , pp. 895-910
- Neugebauer, J.¹ Reiher, M.² Kind, C.³ Hess, B.A.⁴

29
- 0004015037
- McGraw-Hill, New York
- D. A. Long, Raman Spectroscopy, McGraw-Hill, New York, 1977.
- (1977) Raman Spectroscopy
- Long, D.A.¹

30
- 36549100412
- A. D. Becke and K. E. Edgecombe, J. Chem. Phys., 1990, 92, 5397-5403.
- (1990) J. Chem. Phys. , vol.92 , pp. 5397-5403
- Becke, A.D.¹ Edgecombe, K.E.²

31
- 0030773972
- A. Savin, R. Nesper, S. Wengert and T. F. Fässler, Angew. Chem., Int. Ed. Engl., 1997, 36, 1808-1832.
- (1997) Angew. Chem., Int. Ed. Engl. , vol.36 , pp. 1808-1832
- Savin, A.¹ Nesper, R.² Wengert, S.³ Fässler, T.F.⁴

32
- 1642515889
- M. Kohout, dgrid, Max-Planck-lnstitut für Chemische Physik fester Stoffe, Dresden, 2001
- M. Kohout, dgrid, Max-Planck-lnstitut für Chemische Physik fester Stoffe, Dresden, 2001.

33
- 0037085025
- M. P. Johansson, M. R. A. Blomberg, D. Sundholm and M. Wikström, Biochim. Biophys. Acta - Bioenergetics, 2002, 1553, 183-187.
- (2002) Biochim. Biophys. Acta - Bioenergetics , vol.1553 , pp. 183-187
- Johansson, M.P.¹ Blomberg, M.R.A.² Sundholm, D.³ Wikström, M.⁴

34
- 0037009962
- M. P. Johansson, D. Sundholm, G. Gerfen and M. Wikström, J. Am. Chem. Soc., 2002, 124, 11 771-11 780.
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 11771-11780
- Johansson, M.P.¹ Sundholm, D.² Gerfen, G.³ Wikström, M.⁴

35
- 1642515890
- M. Kohout, basin, Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, 2001
- M. Kohout, basin, Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, 2001.

36
- 33845185172
- J. Cioslowski, J. Am. Chem. Soc., 1989, 111, 8333-8336.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8333-8336
- Cioslowski, J.¹

37
- 36849109127
- E. R. Davidson, J. Chem. Phys., 1967, 46, 3320-3324.
- (1967) J. Chem. Phys. , vol.46 , pp. 3320-3324
- Davidson, E.R.¹

38
- 0002378657
- R. Heinzmann and R. Ahlrichs, Theor. Chim. Acta, 1976, 42, 33-45.
- (1976) Theor. Chim. Acta , vol.42 , pp. 33-45
- Heinzmann, R.¹ Ahlrichs, R.²

39
- 0041719093
- Vrije Universiteit, Amsterdam
- G. te Velde, Numerical Integration and Other Methodological Aspects of Bandstructure Calculations in Chemistry, Vrije Universiteit, Amsterdam, 1990.
- (1990) Numerical Integration and Other Methodological Aspects of Bandstructure Calculations in Chemistry
- Te Velde, G.¹

40
- 0030570285
- R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett., 1996, 256, 454-464.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454-464
- Bauernschmitt, R.¹ Ahlrichs, R.²

41
- 0031584630
- R. Bauernschmitt, M. Häser, O. Treutler and R. Ahlrichs, Chem. Phys. Lett., 1997, 264, 573-578.
- (1997) Chem. Phys. Lett. , vol.264 , pp. 573-578
- Bauernschmitt, R.¹ Häser, M.² Treutler, O.³ Ahlrichs, R.⁴

42
- 0000204404
- S. K. Wolff, T. Ziegler, E. van Lenthe and 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 Van Lenthe, E.³ Baerends, E.J.⁴

43
- 0034228753
- J. Autschbach and T. Ziegler, J. Chem. Phys., 2000, 113, 936-947.
- (2000) J. Chem. Phys. , vol.113 , pp. 936-947
- Autschbach, J.¹ Ziegler, T.²

44
- 0034498924
- J. Autschbach and T. Ziegler, J. Chem. Phys., 2000, 113, 9410-9418.
- (2000) J. Chem. Phys. , vol.113 , pp. 9410-9418
- Autschbach, J.¹ Ziegler, T.²

45
- 0000288732
- E. van Lenthe and E. J. Baerends, J. Chem. Phys., 2000, 112, 8279-8292.
- (2000) J. Chem. Phys. , vol.112 , pp. 8279-8292
- Van Lenthe, E.¹ Baerends, E.J.²

46
- 0037561541
- J. Autschbach and E. Zurek, J. Phys. Chem. A, 2003, 107, 4967-4972.
- (2003) J. Phys. Chem. A , vol.107 , pp. 4967-4972
- Autschbach, J.¹ Zurek, E.²

47
- 0000781809
- A. Rodriguez-Fortea, P. Alemany and T. Ziegler, J. Phys. Chem. A, 1999, 103, 8288-8294.
- (1999) J. Phys. Chem. A , vol.103 , pp. 8288-8294
- Rodriguez-Fortea, A.¹ Alemany, P.² Ziegler, T.³

48
- 0037283262
- M. Reiher, J. Neugebauer and B. A. Hess, Z. Phys. Chem., 2003, 217, 91-103.
- (2003) Z. Phys. Chem. , vol.217 , pp. 91-103
- Reiher, M.¹ Neugebauer, J.² Hess, B.A.³

49
- 0038737960
- J. Neugebauer and B. A. Hess, J. Chem. Phys., 2003, 118, 7215-7225.
- (2003) J. Chem. Phys. , vol.118 , pp. 7215-7225
- Neugebauer, J.¹ Hess, B.A.²

50
- 37049086367
- P. Pyykkö and N. Runeberg, J. Chem. Soc., Chem. Commun., 1993, 1812-1813.
- (1993) J. Chem. Soc., Chem. Commun. , pp. 1812-1813
- Pyykkö, P.¹ Runeberg, N.²

51
- 0033731344
- B. J. Lynch, P. L. Fast, M. Harris and D. G. Truhlar, J. Phys. Chem., 2000, 104, 4811-4815.
- (2000) J. Phys. Chem. , vol.104 , pp. 4811-4815
- Lynch, B.J.¹ Fast, P.L.² Harris, M.³ Truhlar, D.G.⁴

52
- 0035810443
- B. J. Lynch and D. G. Truhlar, J. Phys. Chem., 2001, 105, 2936-2941.
- (2001) J. Phys. Chem. , vol.105 , pp. 2936-2941
- Lynch, B.J.¹ Truhlar, D.G.²

53
- 0141441946
- H. Häkkinen, S. Abbet, A. Sanchez, U. Heiz and U. Landman, Angew. Chem., Int. Ed. Engl., 2003, 42, 1297-1300.
- (2003) Angew. Chem., Int. Ed. Engl. , vol.42 , pp. 1297-1300
- Häkkinen, H.¹ Abbet, S.² Sanchez, A.³ Heiz, U.⁴ Landman, U.⁵

54
- 0036902164
- J. Oviedo and R. E. Palmer, J. Chem. Phys., 2002, 117, 9548-9551.
- (2002) J. Chem. Phys. , vol.117 , pp. 9548-9551
- Oviedo, J.¹ Palmer, R.E.²

55
- 0037159969
- P. Weis, T. Bierweiler, E. Vollmer and M. M. Kappes, J. Chem. Phys., 2002, 117, 9293-9297.
- (2002) J. Chem. Phys. , vol.117 , pp. 9293-9297
- Weis, P.¹ Bierweiler, T.² Vollmer, E.³ Kappes, M.M.⁴

56
- 0017383964
- H. Schroeder and B. Stritzker, Radiat. Eff., 1977, 33, 125-126.
- (1977) Radiat. Eff. , vol.33 , pp. 125-126
- Schroeder, H.¹ Stritzker, B.²

57
- 0004118341
- ed. H. Ullmaier, Springer, Berlin
- P. Ehrhart, in Properties and interactions of atomic defects in metals and alloys, ed. H. Ullmaier, Springer, Berlin, 1991, vol. 25.
- (1991) Properties and Interactions of Atomic Defects in Metals and Alloys , vol.25
- Ehrhart, P.¹

58
- 0036975096
- S. Sakai, H. Tanimoto, E. Kita and H. Mizubayashi, Phys. Rev. B, 2002, 66, 214 106.
- (2002) Phys. Rev. B , vol.66 , pp. 214106
- Sakai, S.¹ Tanimoto, H.² Kita, E.³ Mizubayashi, H.⁴

59
- 1642475241
- accepted
- P. Pyykkö, Angew. Chem., 2004, 116, accepted.
- (2004) Angew. Chem. , vol.116
- Pyykkö, P.¹

60
- 1642434195
- unpublished results
- F. M. Bickelhaupt, unpublished results.
- Bickelhaupt, F.M.¹

61
- 37049100820
- J. Knecht, R. Fischer, H. Overhof and F. Hensel, J. Chem. Soc., Chem. Commun., 1978, 905-906.
- (1978) J. Chem. Soc., Chem. Commun. , pp. 905-906
- Knecht, J.¹ Fischer, R.² Overhof, H.³ Hensel, F.⁴

62
- 0033174939
- J. Jusélius and D. Sundholm, Phys. Chem. Chem. Phys., 1999, 1, 3429-3435.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 3429-3435
- Jusélius, J.¹ Sundholm, D.²

63
- 0003998388
- CRC Press, Boca Raton, FL, 83rd edn.
- CRC Handbook of Chemistry and Physics, ed. D. R. Lide, CRC Press, Boca Raton, FL, 83rd edn., 2002.
- (2002) CRC Handbook of Chemistry and Physics
- Lide, D.R.¹

64
- 0037462082
- J. Autschbach, C. D. Igna and T. Ziegler, J. Am. Chem. Soc., 2003, 125, 4937-4942.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 4937-4942
- Autschbach, J.¹ Igna, C.D.² Ziegler, T.³

65
- 0037471660
- J. Autschbach, C. D. Igna and T. Ziegler, J. Am. Chem. Soc., 2003, 125, 1028-1032.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 1028-1032
- Autschbach, J.¹ Igna, C.D.² Ziegler, T.³

66
- 0034837217
- J. Autschbach and T. Ziegler, J. Am. Chem. Soc., 2001, 123, 3341-3349.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 3341-3349
- Autschbach, J.¹ Ziegler, T.²

67
- 0000584999
- L. Stievano, S. Santucci, L. Lozzi, S. Calogero and F. E. Wagner, J. Non-Cryst. Solids, 1998, 232-234, 644-649.
- (1998) J. Non-Cryst. Solids , vol.232-234 , pp. 644-649
- Stievano, L.¹ Santucci, S.² Lozzi, L.³ Calogero, S.⁴ Wagner, F.E.⁵

68
- 0001633281
- B. Simard, P. A. Hackett, A. M. James and P. R. R. Langridge-Smith, Chem. Phys. Lett., 1991, 186, 415-422.
- (1991) Chem. Phys. Lett. , vol.186 , pp. 415-422
- Simard, B.¹ Hackett, P.A.² James, A.M.³ Langridge-Smith, P.R.R.⁴

69
- 0027540555
- V. Beutel, H.-G. Krämer, G. L. Bhale, M. Kuhn, K. Weyers and W. Demtröder, J. Chem. Phys., 1993, 98, 2699-2708.
- (1993) J. Chem. Phys. , vol.98 , pp. 2699-2708
- Beutel, V.¹ Krämer, H.-G.² Bhale, G.L.³ Kuhn, M.⁴ Weyers, K.⁵ Demtröder, W.⁶

70
- 0000902288
- G. A. Bishea and M. D. Morse, J. Chem. Phys., 1991, 95, 5646-5659.
- (1991) J. Chem. Phys. , vol.95 , pp. 5646-5659
- Bishea, G.A.¹ Morse, M.D.²

71
- 0006421188
- V. Kellö and A. J. Sadlej, J. Chem. Phys., 1995, 103, 2991-2999.
- (1995) J. Chem. Phys. , vol.103 , pp. 2991-2999
- Kellö, V.¹ Sadlej, A.J.²

72
- 0035935324
- J. C. Fabbi, J. D. Langenberg, Q. D. Costello, M. D. Morse and L. Karlsson, J. Chem. Phys., 2001, 115, 7543-7549.
- (2001) J. Chem. Phys. , vol.115 , pp. 7543-7549
- Fabbi, J.C.¹ Langenberg, J.D.² Costello, Q.D.³ Morse, M.D.⁴ Karlsson, L.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.