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Journal of Molecular Structure: THEOCHEM

Volumn 620, Issue 1, 2003, Pages 1-8

Theoretical study of cation substitution in trioctahedral sheet of phyllosilicates. An effect on inner OH group

(3) Scholtzová, Eva a Tunega, Daniel a Nagy, Ladislav Turi a

a INSTITUTE OF CHEMISTRY (Slovakia)

Author keywords

B3LYP DZP; Cluster model; Infrared; Phyllosilicates

Indexed keywords

CATION; HYDROXYL GROUP; MINERAL; NICKEL; PHYLLOSILICATE; SILICATE; TALC; UNCLASSIFIED DRUG;

ARTICLE; CORRELATION ANALYSIS; GEOMETRY; INFRARED RADIATION; MOLECULAR MODEL; QUANTUM MECHANICS; SIMULATION; THEORETICAL STUDY; VIBRATION;

EID: 0037414939 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00320-2 Document Type: Article

Times cited : (23)

References (42)

1
- 0012507230
- Mineralogical Society, London
- V.C. Farmer, The Layer Silicates, The Infrared Spectra of Minerals, Mineralogical Society, London, 1974.
- (1974) The Layer Silicates, The Infrared Spectra of Minerals
- Farmer, V.C.¹

2
- 0003873104
- Elsevier, Amsterdam
- H.W. van der Marel, H. Beutelspather, Atlas of Infrared Spectroscopy of Clay Minerals and their Admixtures, Elsevier, Amsterdam, 1976.
- (1976) Atlas of Infrared Spectroscopy of Clay Minerals and their Admixtures
- Van der Marel, H.W.¹ Beutelspather, H.²

3
- 0004022934
- Longman Scientific and Technical, Essex
- A.C.D. Newman, Chemistry of Clays and Clay Minerals, Longman Scientific and Technical, Essex, 1987, p. 480.
- (1987) Chemistry of Clays and Clay Minerals , pp. 480
- Newman, A.C.D.¹

4
- 0012612369
- Madison, Wisconsin
- R.L. Ledoux, J.L. White, Clay and Clay Minerals, Proceedings of the 13th National Conference, Madison, Wisconsin, 1964, p. 249.
- (1964) Clay and Clay Minerals, Proceedings of the 13th National Conference , pp. 249
- Ledoux, R.L.¹ White, J.L.²

5
- 85047699408
- K.M. Michaelian, K. Bukka, N.S. Permann, J. Chem. 65 (1987) 1420.
- (1987) J. Chem. , vol.65 , pp. 1420
- Michaelian, K.M.¹ Bukka, K.² Permann, N.S.³

6
- 0031097694
- R.L. Frost, Clay Miner. 32 (1992) 65.
- (1992) Clay Miner. , vol.32 , pp. 65
- Frost, R.L.¹

7
- 0027435799
- O. Grauby, S. Petit, A. Decarreau, A. Baronnet, Eur. J. Mineral. 5 (1993) 623.
- (1993) Eur. J. Mineral. , vol.5 , pp. 623
- Grauby, O.¹ Petit, S.² Decarreau, A.³ Baronnet, A.⁴

8
- 0029769784
- O. Grauby, F. Martin, P. Ildenfonse, J.L. Hazemann, S. Petit, A. Decarreau, Eur. J. Mineral. 8 (1996) 289.
- (1996) Eur. J. Mineral. , vol.8 , pp. 289
- Grauby, O.¹ Martin, F.² Ildenfonse, P.³ Hazemann, J.L.⁴ Petit, S.⁵ Decarreau, A.⁶

9
- 0028312990
- O. Grauby, S. Petit, A. Decarreau, A. Baronnet, Eur. J. Mineral. 6 (1994) 99.
- (1994) Eur. J. Mineral. , vol.6 , pp. 99
- Grauby, O.¹ Petit, S.² Decarreau, A.³ Baronnet, A.⁴

10
- 0002778238
- J. Madejová, I. Krauss, P. Komadel, Geologica Carpatica-Series Clays 4 (6) (1995) 23.
- (1995) Geologica Carpatica-Series Clays , vol.4 , Issue.6 , pp. 23
- Madejová, J.¹ Krauss, I.² Komadel, P.³

11
- 0026488662
- Ch. Chopin, L. Seidel, T. Theye, G. Feffaris, G. Ivaldi, G. Catti, Eur. J. Mineral. 4 (1992) 67.
- (1992) Eur. J. Mineral. , vol.4 , pp. 67
- Chopin, Ch.¹ Seidel, L.² Theye, T.³ Feffaris, G.⁴ Ivaldi, G.⁵ Catti, G.⁶

12
- 0026304663
- A.C. Prieto, J. Dubessy, M. Canthelineau, Clays Clay Miner. 39 (5) (1991) 531.
- (1991) Clays Clay Miner. , vol.39 , Issue.5 , pp. 531
- Prieto, A.C.¹ Dubessy, J.² Canthelineau, M.³

13
- 0024302835
- J. Sauer, Chem. Rev. 89 (1989) 199.
- (1989) Chem. Rev. , vol.89 , pp. 199
- Sauer, J.¹

14
- 0003400758
- Springer, Berlin
- C. Pisani, R. Dovesi, C. Roetti, Hartree-Fock Ab Initio Treatment of Crystalline Systems, Lecture Notes in Chemistry, vol. 48, Springer, Berlin, 1988.
- (1988) Hartree-Fock Ab Initio Treatment of Crystalline Systems, Lecture Notes in Chemistry , vol.48
- Pisani, C.¹ Dovesi, R.² Roetti, C.³

15
- 33749138147
- D.M. Sherman, Am. Mineral. 76 (1991) 1769.
- (1991) Am. Mineral. , vol.76 , pp. 1769
- Sherman, D.M.¹

16
- 0001071054
- P. D'Arco, M. Causa, C. Roetti, B. Silvi, Phys. Rev. B 47 (1993) 3522.
- (1993) Phys. Rev. B , vol.47 , pp. 3522
- D'Arco, P.¹ Causa, M.² Roetti, C.³ Silvi, B.⁴

17
- 0030404676
- L. Smrčok, L. Benco, Am. Mineral. 81 (1996) 1405.
- (1996) Am. Mineral. , vol.81 , pp. 1405
- Smrčok, L.¹ Benco, L.²

18
- 33751391078
- A.C. Hess, V.R. Saunders, J. Phys. Chem. 96 (1992) 4367.
- (1992) J. Phys. Chem. , vol.96 , pp. 4367
- Hess, A.C.¹ Saunders, V.R.²

19
- 0031436892
- D.J. Hobbs, R.T. Cygan, K.L. Nagy, P.A. Schultz, M.P. Sears, Am. Mineral. 82 (1997) 657.
- (1997) Am. Mineral. , vol.82 , pp. 657
- Hobbs, D.J.¹ Cygan, R.T.² Nagy, K.L.³ Schultz, P.A.⁴ Sears, M.P.⁵

20
- 0034779897
- L. Benco, D. Tunega, J. Hafner, H. Lischka, Am. Mineral. 86 (2001) 1057.
- (2001) Am. Mineral. , vol.86 , pp. 1057
- Benco, L.¹ Tunega, D.² Hafner, J.³ Lischka, H.⁴

21
- 0001547478
- L. Benco, D. Tunega, J. Hafner, H. Lischka, Chem. Phys. Lett. 333 (2001) 479.
- (2001) Chem. Phys. Lett. , vol.333 , pp. 479
- Benco, L.¹ Tunega, D.² Hafner, J.³ Lischka, H.⁴

22
- 0001036167
- C.H. Bridgeman, A.D. Buckingham, N.T. Skipper, M.C. Payne, Mol. Phys. 89 (1996) 879.
- (1996) Mol. Phys. , vol.89 , pp. 879
- Bridgeman, C.H.¹ Buckingham, A.D.² Skipper, N.T.³ Payne, M.C.⁴

23
- 0027061459
- A.C. Lasaga, Rev. Geophys. 30 (1992) 269.
- (1992) Rev. Geophys. , vol.30 , pp. 269
- Lasaga, A.C.¹

24
- 0348060522
- J. Sauer, P. Ugliengo, E. Garrone, V.R. Saunders, Chem. Rev. 94 (1994) 2095.
- (1994) Chem. Rev. , vol.94 , pp. 2095
- Sauer, J.¹ Ugliengo, P.² Garrone, E.³ Saunders, V.R.⁴

25
- 0000559117
- R.C. Peterson, R.J. Hill, G.V. Gibbs, Can. Mineral. 17 (1979) 703.
- (1979) Can. Mineral. , vol.17 , pp. 703
- Peterson, R.C.¹ Hill, R.J.² Gibbs, G.V.³

26
- 33845554755
- S. Aronowitz, L. Coyne, J. Lawless, J. Rishpon, Inorg. Chem. 21 (1982) 3589.
- (1982) Inorg. Chem. , vol.21 , pp. 3589
- Aronowitz, S.¹ Coyne, L.² Lawless, J.³ Rishpon, J.⁴

27
- 0026899334
- A. Delville, Langmuir 8 (1992) 1796.
- (1992) Langmuir , vol.8 , pp. 1796
- Delville, A.¹

28
- 0026117884
- A. Delville, Langmuir 7 (1991) 547.
- (1991) Langmuir , vol.7 , pp. 547
- Delville, A.¹

29
- 0001465764
- D. Tunega, L. Turi Nagy, S. Varga, Chem. Pap. 47 (1993) 273.
- (1993) Chem. Pap. , vol.47 , pp. 273
- Tunega, D.¹ Turi Nagy, L.² Varga, S.³

30
- 0027879031
- D. Tunega, L. Turi Nagy, Ceramics 37 (1993) 145.
- (1993) Ceramics , vol.37 , pp. 145
- Tunega, D.¹ Turi Nagy, L.²

31
- 0031549769
- A. Chatterjee, T. Iwasaki, T. Ebina, H. Hayashi, Appl. Surf. Sci. 121/122 (1997) 167.
- (1997) Appl. Surf. Sci. , vol.121-122 , pp. 167
- Chatterjee, A.¹ Iwasaki, T.² Ebina, T.³ Hayashi, H.⁴

32
- 0001019424
- L.G. Gorb, E.V. Aksenenko, J.W. Adams, S.L. Larson, C.A. Weiss, D. Leszczynska, J. Leszczynski, J. Mol. Struct. (Theochem) 425 (1998) 129.
- (1998) J. Mol. Struct. (Theochem) , vol.425 , pp. 129
- Gorb, L.G.¹ Aksenenko, E.V.² Adams, J.W.³ Larson, S.L.⁴ Weiss, C.A.⁵ Leszczynska, D.⁶ Leszczynski, J.⁷

33
- 0000233422
- N.U. Zhanpeisov, J.W. Adams, S.L. Larson, C.A. Weiss, B.Z. Zhanpeisova, D. Leszczynska, J. Leszczynski, J. Struct. Chem. 10 (1999) 285.
- (1999) J. Struct. Chem. , vol.10 , pp. 285
- Zhanpeisov, N.U.¹ Adams, J.W.² Larson, S.L.³ Weiss, C.A.⁴ Zhanpeisova, B.Z.⁵ Leszczynska, D.⁶ Leszczynski, J.⁷

34
- 0000865852
- A. Pelmenschikov, J. Leszczynski, J. Phys. Chem. B 103 (1999) 6886.
- (1999) J. Phys. Chem. B , vol.103 , pp. 6886
- Pelmenschikov, A.¹ Leszczynski, J.²

35
- 0033891330
- C.I. Sainz-Diaz, V. Timon, V. Botelia, A. Hemandez-Laguna, Am. Mineral. 85 (7-8) (2000) 1038.
- (2000) Am. Mineral. , vol.85 , Issue.7-8 , pp. 1038
- Sainz-Diaz, C.I.¹ Timon, V.² Botelia, V.³ Hemandez-Laguna, A.⁴

36
- 0000144753
- R.W.T. Wilkins, J. Ito, Am. Mineral. 52 (1967) 1649.
- (1967) Am. Mineral. , vol.52 , pp. 1649
- Wilkins, R.W.T.¹ Ito, J.²

37
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Chesseman, I. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, J. Fox, S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision D.3, Gaussian Inc., Pittsburgh, PA, 1995.
- (1995) GAUSSIAN 94, Revision D.3
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Chesseman, J.R.⁷ Keith, I.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

38
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

39
- 0012562793
- M. Mellini, Am. Mineral. 587 (1982) 62.
- (1982) Am. Mineral. , vol.587 , pp. 62
- Mellini, M.¹

40
- 3843130110
- in Slovak, ALFA, Bartislava
- J. Gažo, J. Kohout, M. Serator, T. Šramko, M. Zikmund, Všeobecná a Anorganická Chémia (in Slovak), ALFA, Bartislava, 1981.
- (1981) Všeobecná a Anorganická Chémia
- Gažo, J.¹ Kohout, J.² Serator, M.³ Šramko, T.⁴ Zikmund, M.⁵

41
- 0000427796
- L.A. Burke, P.N. Krishnan, J.O. Jensen, Chem. Phys. Lett. 206 (1993) 293.
- (1993) Chem. Phys. Lett. , vol.206 , pp. 293
- Burke, L.A.¹ Krishnan, P.N.² Jensen, J.O.³

42
- 0011083273
- A. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16502.
- (1996) J. Phys. Chem. , vol.100 , pp. 16502
- Scott, A.¹ Radom, L.²

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