SCOPUS 정보 검색 플랫폼

Physical Chemistry Chemical Physics

Volumn 11, Issue 47, 2009, Pages 11264-11275

A quantum mechanical study of TiCl3α, β and γ crystal phases: Geometry, electronic structure and magnetism

(5) Sementa, L a D'Amore, M a Barone, V b Busico, V a Causa', M a

a UNIVERSITY OF NAPLES FEDERICO II (Italy)

b SCUOLA NORMALE SUPERIORE (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 73149111046 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b917013h Document Type: Article

Times cited : (15)

References (51)

1
- 0003820316
- Academic Press
- J. Boor Jr, Ziegler-Natta catalysts and polymerization, Academic Press, 1979
- (1979) Ziegler-Natta Catalysts and Polymerization
- Boor Jr, J.¹

2
- 0000626530
- P. Corradini V. Barone R. Fusco G. Guerra Eur. Polym. J. 1979 15 1133
- (1979) Eur. Polym. J. , vol.15 , pp. 1133
- Corradini, P.¹ Barone, V.² Fusco, R.³ Guerra, G.⁴

3
- 0004276702
- E. P. Moore, Jr, Hanser Publishers, Munich
- Polypropylene Handbook: Polymerization, Characterization, Properties, Applications, ed., E. P. Moore, Jr, Hanser Publishers, Munich, 1996
- (1996) Polypropylene Handbook: Polymerization, Characterization, Properties, Applications, Ed.

4
- 0000293036
- J. C. W. Chien J. C. Wu J. Polym. Sci., Polym. Chem. Ed. 1982 20 2461
- (1982) J. Polym. Sci., Polym. Chem. Ed. , vol.20 , pp. 2461
- Chien, J.C.W.¹ Wu, J.C.²

5
- 0001451598
- P. Brant A. N. Speca Macromolecules 1987 20 2740
- (1987) Macromolecules , vol.20 , pp. 2740
- Brant, P.¹ Speca, A.N.²

6
- 68849108131
- R. Credendino V. Busico M. Causa' V. Barone P. H. M. Budzelaar C. Zicovich-Wilson Phys. Chem. Chem. Phys. 2009 11 6525
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 6525
- Credendino, R.¹ Busico, V.² Causa, M.³ Barone, V.⁴ Budzelaar, P.H.M.⁵ Zicovich-Wilson, C.⁶

7
- 84982055308
- W. Klemm E. Krose Z. Anorg. Chem. 1947 253 209
- (1947) Z. Anorg. Chem. , vol.253 , pp. 209
- Klemm, W.¹ Krose, E.²

8
- 73149111141
- S. Ogawa J. Phys. Soc. Jpn. 1960 15 1901
- (1960) J. Phys. Soc. Jpn. , vol.15 , pp. 1901
- Ogawa, S.¹

9
- 51649178441
- F. Cavallone I. Pollini G. Spinolo Lett. Al Nuovo Cimento 1970 4 764
- (1970) Lett. Al Nuovo Cimento , vol.4 , pp. 764
- Cavallone, F.¹ Pollini, I.² Spinolo, G.³

10
- 0016425382
- C. A. Emeis F. J. Reinders E. Drent Solid State Commun. 1975 16 239
- (1975) Solid State Commun. , vol.16 , pp. 239
- Emeis, C.A.¹ Reinders, F.J.² Drent, E.³

11
- 84987156824
- F. Cavallone I. Pollini G. Spinolo Phys. Status Solidi B 1971 45 405
- (1971) Phys. Status Solidi B , vol.45 , pp. 405
- Cavallone, F.¹ Pollini, I.² Spinolo, G.³

12
- 84945628670
- J. A. Wilson Adv. Phys. 1972 21 143
- (1972) Adv. Phys. , vol.21 , pp. 143
- Wilson, J.A.¹

13
- 0344215621
- E. Drent C. A. Emeis A. G. T. G. Kortbeek Chem. Phys. 1975 10 313
- (1975) Chem. Phys. , vol.10 , pp. 313
- Drent, E.¹ Emeis, C.A.² Kortbeek, A.G.T.G.³

14
- 0042149106
- C. H. Maule J. N. Tothill P. Strange J. A. Wilson J. Phys. C: Solid State Phys. 1988 21 2153
- (1988) J. Phys. C: Solid State Phys. , vol.21 , pp. 2153
- Maule, C.H.¹ Tothill, J.N.² Strange, P.³ Wilson, J.A.⁴

15
- 0020807213
- I. Pollini Solid State Commun. 1983 47 403
- (1983) Solid State Commun. , vol.47 , pp. 403
- Pollini, I.¹

16
- 0004077449
- Springer, Berlin
- F. Gebhard, The Mott Metal-Insulator Transition, Springer Tracts in Modern Physics 137, Springer, Berlin, 1997
- (1997) The Mott Metal-Insulator Transition, Springer Tracts in Modern Physics 137
- Gebhard, F.¹

17
- 73149099256
- A. Dominguez Rodriguez, J. Castaing and R. Marquez, Servicio de Publicaciones de la Universidad de Sevilla, Seville, p. 43
- K. Schwartz, in Basic Properties of Binary oxides, ed., A. Dominguez Rodriguez, J. Castaing, and, R. Marquez, Servicio de Publicaciones de la Universidad de Sevilla, Seville, 1984, p. 43
- (1984) Basic Properties of Binary Oxides, Ed.
- Schwartz In, K.¹

18
- 26144461772
- K. Terakura A. R. Williams T. Oguchi J. Kubler Phys Rev. B 1984 30 4734
- (1984) Phys Rev. B , vol.30 , pp. 4734
- Terakura, K.¹ Williams, A.R.² Oguchi, T.³ Kubler, J.⁴

19
- 84926530355
- B. H. Brandow Adv. Phys. 1977 26 651
- (1977) Adv. Phys. , vol.26 , pp. 651
- Brandow, B.H.¹

20
- 0001401287
- M. D. Towler N. L. Allan N. M. Harrison V. R. Saunders W. C. Mackrodt E. Aprà Phys. Rev. B 1997 50 5041
- (1997) Phys. Rev. B , vol.50 , pp. 5041
- Towler, M.D.¹ Allan, N.L.² Harrison, N.M.³ Saunders, V.R.⁴ MacKrodt, W.C.⁵ Aprà, E.⁶

21
- 0347581921
- A. Svane O. Gunnarson Phys. Rev. Lett. 1990 65 1148
- (1990) Phys. Rev. Lett. , vol.65 , pp. 1148
- Svane, A.¹ Gunnarson, O.²

22
- 0001437693
- V. A. Anisimov J. Zaanen O. K Anderson Phys. Rev. B 1991 44 943
- (1991) Phys. Rev. B , vol.44 , pp. 943
- Anisimov, V.A.¹ Zaanen, J.² Anderson O, K.³

23
- 0001388602
- A. Seidl A. Gorling P. Vogl P. A. Majewski M. Levy Phys. Rev. B 1996 53 3764
- (1996) Phys. Rev. B , vol.53 , pp. 3764
- Seidl, A.¹ Gorling, A.² Vogl, P.³ Majewski, P.A.⁴ Levy, M.⁵

24
- 19744381392
- X. Feng N. M. Harrison Phys. Rev. B 2004 70 092402
- (2004) Phys. Rev. B , vol.70 , pp. 092402
- Feng, X.¹ Harrison, N.M.²

25
- 33645473879
- P. R. Moreira F. Illas Phys. Chem. Chem. Phys. 2006 8 1645
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 1645
- Moreira, P.R.¹ Illas, F.²

26
- 34347226870
- Turin University, Turin
- R. Dovesi, V. R. Saunders, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, I. J. Bush, P. D'Arco and M. Lunell, Crystal 2006 User Manual, Turin University, Turin, 2007
- (2007) Crystal 2006 User Manual
- Dovesi, R.¹ Saunders, V.R.² Orlando, R.³ Zicovich-Wilson, C.M.⁴ Pascale, F.⁵ Civalleri, B.⁶ Doll, K.⁷ Bush, I.J.⁸ D'Arco, P.⁹ Lunell, M.¹⁰

27
- 0000189651
- A. D. Becke J. Chem. Phys. 1993 98 5648
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

28
- 27944498518
- F. Cora Mol. Phys. 2005 103 2483
- (2005) Mol. Phys. , vol.103 , pp. 2483
- Cora, F.¹

29
- 0001113886
- To reduce the inaccuracy coming from the numerical approximations introduced in the implementations of SCF equations, values (7, 7, 7, 7, 15) of tolerances controlling the Coulomb and exchange series were adopted for all calculations. The reciprocal space integration was performed by sampling the Brillouin zone at a regular set of points, the mesh of points was defined by a shrinking factor set equal to 8
- E. Apra M. Causa' M. Prencipe R. Dovesi V. R. Saunders J. Phys.: Condens. Matter 1993 5 2969
- (1993) J. Phys.: Condens. Matter , vol.5 , pp. 2969
- Apra, E.¹ Causa, M.² Prencipe, M.³ Dovesi, R.⁴ Saunders, V.R.⁵

30
- 84890021933
- S. F. Boys F. Bernardi Mol. Phys. 1970 19 553
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

31
- 0042060750
- Springer, Berlin
- R. W. Godby and P. G. Gonzàlez, in A Primer on Density Functional Theory, Springer, Berlin, 2003
- (2003) A Primer on Density Functional Theory
- Godby, R.W.¹ Gonzàlez, P.G.²

32
- 33750559983
- S. Grimme J. Comput. Chem. 2006 27 1787
- (2006) J. Comput. Chem. , vol.27 , pp. 1787
- Grimme, S.¹

33
- 73149102624
- B. Civalleri C. M. Zichovich-Wilson L. Valenzano P. Ugliengo CrystEngComm 2007 9 1
- (2007) CrystEngComm , vol.9 , pp. 1
- Civalleri, B.¹ Zichovich-Wilson, C.M.² Valenzano, L.³ Ugliengo, P.⁴

34
- 22944484705
- C. Pisani M. Busso G. Capecchi S. Casassa R. Dovesi L. Maschio C. Zicovich-Wilson M. Schütz J. Chem. Phys. 2005 122 094113
- (2005) J. Chem. Phys. , vol.122 , pp. 094113
- Pisani, C.¹ Busso, M.² Capecchi, G.³ Casassa, S.⁴ Dovesi, R.⁵ Maschio, L.⁶ Zicovich-Wilson, C.⁷ Schütz, M.⁸

35
- 0003806230
- G. Natta P. Corradini G. Allegra J. Polym. Sci. 1961 51 399
- (1961) J. Polym. Sci. , vol.51 , pp. 399
- Natta, G.¹ Corradini, P.² Allegra, G.³

36
- 34249691473
- World Scientific, London
- D. Feng and G. Jin, Introduction to Condensed Matter Physics, World Scientific, London, 2005
- (2005) Introduction to Condensed Matter Physics
- Feng, D.¹ Jin, G.²

37
- 0001727954
- V. Barone A. Bencini I. Ciofini C. Daul J. Phys. Chem. A 1999 103 4275
- (1999) J. Phys. Chem. A , vol.103 , pp. 4275
- Barone, V.¹ Bencini, A.² Ciofini, I.³ Daul, C.⁴

38
- 84956722357
- H. Schafer H. G. Von Schnering J. Tillack F. Kuhnen Z. Anorg. Allg. Chem. 1967 353 281
- (1967) Z. Anorg. Allg. Chem. , vol.353 , pp. 281
- Schafer, H.¹ Von Schnering, H.G.² Tillack, J.³ Kuhnen, F.⁴

39
- 0003475560
- Springer, Berlin, p. 36
- K. Yosida, Theory of Magnetism, Series in Solid State Science 122, Springer, Berlin, 1998, p. 36
- (1998) Theory of Magnetism, Series in Solid State Science 122
- Yosida, K.¹

40
- 33746387322
- Springer, Berlin
- U. Rossler, Solid State Theory, Springer, Berlin, 2006
- (2006) Solid State Theory
- Rossler, U.¹

41
- 36849115368
- T. J. O' Reilly E. L. Offenbacher J. Chem. Phys. 1971 54 3065
- (1971) J. Chem. Phys. , vol.54 , pp. 3065
- O'Reilly, T.J.¹ Offenbacher, E.L.²

42
- 0000541030
- J. Kanamori Prog. Theor. Phys. 1963 30 275
- (1963) Prog. Theor. Phys. , vol.30 , pp. 275
- Kanamori, J.¹

43
- 0003407954
- Springer, Berlin
- N. Tsuda, K. Nasu, A. Fujimori and K. Siratori, Electronic Conduction in Oxides, Springer, Berlin, 2000
- (2000) Electronic Conduction in Oxides
- Tsuda, N.¹ Nasu, K.² Fujimori, A.³ Siratori, K.⁴

44
- 73149086508
- B. H. Brandow J. Alloys Compd. 1980 182 377
- (1980) J. Alloys Compd. , vol.182 , pp. 377
- Brandow, B.H.¹

45
- 0031123677
- D. I. Khomskii G. A. Sawatzky Solid State Commun. 1997 102 87
- (1997) Solid State Commun. , vol.102 , pp. 87
- Khomskii, D.I.¹ Sawatzky, G.A.²

46
- 0003510649
- Springer, Berlin, p. 18
- A. Auerbach, Interacting Electrons and Quantum Magnetism, Springer, Berlin, 1994, p. 18
- (1994) Interacting Electrons and Quantum Magnetism
- Auerbach, A.¹

47
- 27144508504
- Imperial College Press, London
- K. Christensen and N. R. Moloney, in Complexity and Criticality, Imperial College Press, London, 2005
- (2005) Complexity and Criticality
- Christensen, K.¹ Moloney In, N.R.²

48
- 73149111612
- Springer, Berlin
- J. Stöhr and H. C. Siegmann, Magnetism, ed., 2008, Series in Solid State Sciences. 296, Springer, Berlin, 2008
- (2008) Magnetism, Ed., 2008, Series in Solid State Sciences. 296
- Stöhr, J.¹ Siegmann, H.C.²

49
- 84943955820
- L. J. De Jongh A. R. Miedema Adv. Phys. 1974 23 1
- (1974) Adv. Phys. , vol.23 , pp. 1
- De Jongh, L.J.¹ Miedema, A.R.²

50
- 0035979115
- M. Boero M. Parrinello H. Weiss S. Huffer 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 Huffer, S.⁴

51
- 0037167587
- M. Seth P. M. Margl T. Ziegler Macromolecules 2002 35 7815
- (2002) Macromolecules , vol.35 , pp. 7815
- Seth, M.¹ Margl, P.M.² Ziegler, T.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.