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Australian Journal of Chemistry

Volumn 57, Issue 12, 2004, Pages 1191-1195

Chemical Bonding in Octahedral XeF6 and SF6

(2) Lein, Matthias a Frenking, Gernot a

a PHILIPPS UNIVERSITY MARBURG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; DATA REDUCTION; INERT GASES; ISOMERS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS;

BONDING SITUATION; ENERGY DECOMPOSITION ANALYSIS (EDA); ENERGY DIFFERENCES; INTERACTION ENERGY;

XENON;

EID: 11144345138 PISSN: 00049425 EISSN: None Source Type: Journal
DOI: 10.1071/ch04113 Document Type: Conference Paper

Times cited : (18)

References (33)

1
- 0004016435
- University of Chicago: Chicago, IL
- Noble Gas Compounds (Ed. H. H. Hyman) 1967 (University of Chicago: Chicago, IL).
- (1967) Noble Gas Compounds
- Hyman, H.H.¹

2
- 11144311588
- N. Bartlett, Proc. Chem. Soc. 1962, 218, 1.
- (1962) Proc. Chem. Soc. , vol.218 , pp. 1
- Bartlett, N.¹

3
- 0000332618
- R. E. Rundle, J. Am. Chem. Soc. 1963, 85, 112.
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 112
- Rundle, R.E.¹

4
- 0029853378
- doi:10.1021/JA9621556
- (a) M. Kaupp, Ch. van Wüllen, R. Franke, F. Schmitz, W. Kutzelnigg, J. Am. Chem. Soc. 1996, 118, 11939. doi:10.1021/JA9621556
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 11939
- Kaupp, M.¹ Van Wüllen, Ch.² Franke, R.³ Schmitz, F.⁴ Kutzelnigg, W.⁵

5
- 0035155487
- doi: 10.1002/1097-461X(2001)81:3<:238::AID-QUA7>3.0.CO;2-T
- (b) F. B. C. Machado, T. K. Ghanty, S. Chakravorty, E. R. Davidson, Int. J. Quantum Chem. 2001, 81, 238. doi: 10.1002/1097-461X(2001)81:3<:238::AID- QUA7>3.0.CO;2-T
- (2001) Int. J. Quantum Chem. , vol.81 , pp. 238
- Machado, F.B.C.¹ Ghanty, T.K.² Chakravorty, S.³ Davidson, E.R.⁴

6
- 0001174275
- doi: 10.1063/1.468642
- T. D. Crawford, K. W. Springer, H. F. Schaefer III, J. Chem. Phys. 1995, 102, 3307. doi: 10.1063/1.468642
- (1995) J. Chem. Phys. , vol.102 , pp. 3307
- Crawford, T.D.¹ Springer, K.W.² Schaefer III, H.F.³

7
- 0001600899
- doi:10.1002/(SICI)1096-987X(19970415) 18:5<601::A1D-JCC1>3.3.CO;2-M
- J. Styszynski, X. Cao, G. L. Malli, L. Visscher, J. Comput. Chem. 1997, 18, 601. doi:10.1002/(SICI)1096-987X(19970415) 18:5<601::A1D-JCC1>3.3. CO;2-M
- (1997) J. Comput. Chem. , vol.18 , pp. 601
- Styszynski, J.¹ Cao, X.² Malli, G.L.³ Visscher, L.⁴

8
- 0001107960
- doi:10.1021/JP9825516
- M.-S. Liao, Q.-E. Zhang, J. Phys. Chem. A 1998, 102, 10647. doi:10.1021/JP9825516
- (1998) J. Phys. Chem. A , vol.102 , pp. 10647
- Liao, M.-S.¹ Zhang, Q.-E.²

9
- 0035805408
- doi:10.1016/S0166-1280(00)00650-3
- D. Yu, Z. Chen, J. Mol. Struct. Theochem 2001, 540, 29. doi:10.1016/S0166-1280(00)00650-3
- (2001) J. Mol. Struct. Theochem , vol.540 , pp. 29
- Yu, D.¹ Chen, Z.²

10
- 0242352655
- doi:10.1063/1.1609975
- C. Buth, R. Santra, L. S. Cederbaum, J. Chem. Phys. 2003, 119, 7763. doi:10.1063/1.1609975
- (2003) J. Chem. Phys. , vol.119 , pp. 7763
- Buth, C.¹ Santra, R.² Cederbaum, L.S.³

11
- 0037509929
- doi: 10.1016/S0010-8545(02)00285-0
- (a) G. Frenking, K. Wichmann, N. Fröhlich, C. Loschen, M. Lein, J. Frunzke, V. M. Rayón, Coord. Chem. Rev. 2003, 238-239, 55. doi: 10.1016/S0010-8545(02)00285-0
- (2003) Coord. Chem. Rev. , vol.238-239 , pp. 55
- Frenking, G.¹ Wichmann, K.² Fröhlich, N.³ Loschen, C.⁴ Lein, M.⁵ Frunzke, J.⁶ Rayón, V.M.⁷

12
- 84885142464
- (Eds C. E. Dykstra, K. S. Kim, G. Frenking, G. E. Scuseria) (Elsevier: Amsterdam), in press
- (b) M. Lein, G. Frenking, Theory and Applications of Computational Chemistry: The First 40 Years (Eds C. E. Dykstra, K. S. Kim, G. Frenking, G. E. Scuseria) 2005 (Elsevier: Amsterdam), in press.
- (2005) Theory and Applications of Computational Chemistry: The First 40 Years
- Lein, M.¹ Frenking, G.²

13
- 4243553426
- doi.-10.1103/ PHYS-REVA.38.3098
- A. D. Becke, Phys. Rev. A 1988, 38, 3098. doi.-10.1103/ PHYS-REVA.38.3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

14
- 5944261746
- doi:10.1103/PHYS-REVB.33.8822
- J. P. Perdew, Phys. Rev. B 1986, 33, 8822. doi:10.1103/PHYS-REVB.33.8822
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

15
- 49049148107
- doi:10.1016/0092-640X(81)90004-8
- J. G. Snijders, E. J. Baerends, P. Vernooijs, At. Data Nucl. Data Tables 1981, 26, 483. doi:10.1016/0092-640X(81)90004-8
- (1981) At. Data Nucl. Data Tables , vol.26 , pp. 483
- Snijders, J.G.¹ Baerends, E.J.² Vernooijs, P.³

16
- 0022810794
- (a) C. Chang, M. Pelissier, Ph. Durand, Phys. Scr. 1986, 34, 394.
- (1986) Phys. Scr. , vol.34 , pp. 394
- Chang, C.¹ Pelissier, M.² Durand, Ph.³

17
- 34547149847
- (b) J.-L. Heully, I. Lindgren, E. Lindroth, S. Lundquist, A.-M. Martensson-Pendrill, J. Phys. B 1986, 19, 2799.
- (1986) J. Phys. B , vol.19 , pp. 2799
- Heully, J.-L.¹ Lindgren, I.² Lindroth, E.³ Lundquist, S.⁴ Martensson-Pendrill, A.-M.⁵

18
- 0037880444
- doi:10.1063/1.466059
- (c) E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1993, 99, 4597. doi:10.1063/1.466059
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

19
- 0010163977
- doi: 10.1063/1.472460
- (d) E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1996, 105, 6505. doi: 10.1063/1.472460
- (1996) J. Chem. Phys. , vol.105 , pp. 6505
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

20
- 0030570027
- doi:10.1016/S0009-2614(96)00168-6
- (e) J. G. Snijders, A. H. Sadlej, Chem. Phys. Lett. 1996, 252, 51. doi:10.1016/S0009-2614(96)00168-6
- (1996) Chem. Phys. Lett. , vol.252 , pp. 51
- Snijders, J.G.¹ Sadlej, A.H.²

21
- 1642459514
- doi:10.1002/(SICI)1097-461X(1996)57:3<281::AID-QUA2>3.0.CO;2-U
- (f) E. van Lenthe, R. van Leeuwen, E. J. Baerends, J. G. Snijders, Int. J. Quantum Chem. 1996, 57, 281. doi:10.1002/(SICI)1097-461X(1996)57:3<281:: AID-QUA2>3.0.CO;2-U
- (1996) Int. J. Quantum Chem. , vol.57 , pp. 281
- Van Lenthe, E.¹ Van Leeuwen, R.² Baerends, E.J.³ Snijders, J.G.⁴

22
- 0000458921
- doi:10.1063/1.478813
- (g) E. van Lenthe, A. E. Ehlers, E. J. Baerends, J. Chem. Phys. 1999, 110, 8943. doi:10.1063/1.478813
- (1999) J. Chem. Phys. , vol.110 , pp. 8943
- Van Lenthe, E.¹ Ehlers, A.E.² Baerends, E.J.³

23
- 0003990093
- (Vrije Universiteit: Amsterdam) [in Dutch]
- J. Krijn, E. J. Baerends, Fit Functions in the HFS Method 1984 (Vrije Universiteit: Amsterdam) [in Dutch].
- (1984) Fit Functions in the HFS Method
- Krijn, J.¹ Baerends, E.J.²

24
- 36849107181
- doi:10.1063/1.1676210
- (a) K. J. Morokuma, J. Chem. Phys. 1971, 55, 1236. doi:10.1063/1.1676210
- (1971) J. Chem. Phys. , vol.55 , pp. 1236
- Morokuma, K.J.¹

25
- 84987133653
- (b) K. Kitaura, K. Morokuma, Int. J. Quantum Chem. 1976, 10, 325.
- (1976) Int. J. Quantum Chem. , vol.10 , pp. 325
- Kitaura, K.¹ Morokuma, K.²

26
- 33847089778
- (c) K. Morokuma, Acc. Chem. Res. 1977, 10, 294.
- (1977) Acc. Chem. Res. , vol.10 , pp. 294
- Morokuma, K.¹

27
- 33751065104
- (d) T. Ziegler, A. Rauk, Theor. Chim. Acta 1977, 46, 1.
- (1977) Theor. Chim. Acta , vol.46 , pp. 1
- Ziegler, T.¹ Rauk, A.²

28
- 33845560210
- (e) T. Ziegler, A. Rauk, Inorg. Chem. 1979, 18, 1558.
- (1979) Inorg. Chem. , vol.18 , pp. 1558
- Ziegler, T.¹ Rauk, A.²

29
- 33845561299
- (f) T. Ziegler, A. Rauk, Inorg. Chem. 1979, 18, 1755.
- (1979) Inorg. Chem. , vol.18 , pp. 1755
- Ziegler, T.¹ Rauk, A.²

30
- 0034373424
- (Eds K. B. Lipkowitz, D. B. Boyd) (Wiley-VCH: New York, NY)
- F. M. Bickelhaupt, E. J. Baerends, Reviews in Computational Chemistry (Eds K. B. Lipkowitz, D. B. Boyd) 2000, Vol. 15 (Wiley-VCH: New York, NY).
- (2000) Reviews in Computational Chemistry , vol.15
- Bickelhaupt, F.M.¹ Baerends, E.J.²

31
- 3142671648
- Scientific Computing & Modelling: Amsterdam
- E. J. Baerends, J. A. Autschbach, A. Berces, C. Bo, P. M. Boerrigter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, L. Fan, T. H. Fischer, et al., ADF 2003-012003 (Scientific Computing & Modelling: Amsterdam). http://www.scm.com/
- (2003) ADF 2003-01
- Baerends, E.J.¹ Autschbach, J.A.² Berces, A.³ Bo, C.⁴ Boerrigter, P.M.⁵ Cavallo, L.⁶ Chong, D.P.⁷ Deng, L.⁸ Dickson, R.M.⁹ Ellis, D.E.¹⁰ Fan, L.¹¹ Fischer, T.H.¹²

32
- 0001631342
- A. A. Ischenko, J. D. Ewbank, L. Schäfer, J. Chem. Phys. 1994, 98, 4287.
- (1994) J. Chem. Phys. , vol.98 , pp. 4287
- Ischenko, A.A.¹ Ewbank, J.D.² Schäfer, L.³

33
- 0003947806
- Wiley: New York, NY
- T. A. Albright, J. K. Burdett, M. H. Whangbo, Orbital Interactions in Chemistry 1985, p. 259 (Wiley: New York, NY).
- (1985) Orbital Interactions in Chemistry , pp. 259
- Albright, T.A.¹ Burdett, J.K.² Whangbo, M.H.³

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