SCOPUS 정보 검색 플랫폼

Physical Chemistry Chemical Physics

Volumn 9, Issue 46, 2007, Pages 6128-6133

Global exploration of the energy landscape of solids on the ab initio level

(3) Doll, K a Schon J C a Jansen, M a

a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 37749030595 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b709943f Document Type: Article

Times cited : (73)

References (59)

1
- 0000293555
- J. Maddox Nature 1988 335 201
- (1988) Nature , vol.335 , pp. 201
- Maddox, J.¹

2
- 0005945377
- M. L. Cohen Nature 1989 338 291
- (1989) Nature , vol.338 , pp. 291
- Cohen, M.L.¹

3
- 85045818094
- F. C. Hawthorne Nature 1990 345 297
- (1990) Nature , vol.345 , pp. 297
- Hawthorne, F.C.¹

4
- 0001328044
- C. R. A. Catlow G. D. Price Nature 1990 347 243
- (1990) Nature , vol.347 , pp. 243
- Catlow, C.R.A.¹ Price, G.D.²

5
- 0029790917
- J. C. Schön M. Jansen Angew. Chem., Int. Ed. Engl. 1996 35 1286
- (1996) Angew. Chem., Int. Ed. Engl. , vol.35 , pp. 1286
- Schön, J.C.¹ Jansen, M.²

6
- 33745482794
- M. Jansen Angew. Chem., Int. Ed. 2002 41 3747
- (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 3747
- Jansen, M.¹

7
- 0034976805
- J. C. Schön M. Jansen Z. Kristallogr. 2001 216 307
- (2001) Z. Kristallogr. , vol.216 , pp. 307
- Schön, J.C.¹ Jansen, M.²

8
- 0034891167
- J. C. Schön M. Jansen Z. Kristallogr. 2001 216 361
- (2001) Z. Kristallogr. , vol.216 , pp. 361
- Schön, J.C.¹ Jansen, M.²

9
- 0043290076
- J. C. Schön M. A. C. Wevers M. Jansen J. Phys.: Condens. Matter 2003 15 5479
- (2003) J. Phys.: Condens. Matter , vol.15 , pp. 5479
- Schön, J.C.¹ Wevers, M.A.C.² Jansen, M.³

10
- 0042059097
- A. Y. Liu M. L. Cohen Phys. Rev. B 1990 41 10727
- (1990) Phys. Rev. B , vol.41 , pp. 10727
- Liu, A.Y.¹ Cohen, M.L.²

11
- 0000632187
- J. Pannetier J. Bassas-Alsina J. Rodriguez-Carvajal V. Caignart Nature 1990 346 343
- (1990) Nature , vol.346 , pp. 343
- Pannetier, J.¹ Bassas-Alsina, J.² Rodriguez-Carvajal, J.³ Caignart, V.⁴

12
- 5244260933
- C. M. Freeman J. M. Newsam S. M. Levine C. R. A. Catlow J. Mater. Chem. 1993 3 531
- (1993) J. Mater. Chem. , vol.3 , pp. 531
- Freeman, C.M.¹ Newsam, J.M.² Levine, S.M.³ Catlow, C.R.A.⁴

13
- 37749023155
- J. C. Schön M. Jansen Ber. Bunsen-Ges. Phys. Chem. 1994 98 1148
- (1994) Ber. Bunsen-Ges. Phys. Chem. , vol.98 , pp. 1148
- Schön, J.C.¹ Jansen, M.²

14
- 0028552884
- M. B. Boisen, Jr G. V. Gibbs M. S. T. Bukowinski Phys. Chem. Miner. 1994 21 269
- (1994) Phys. Chem. Miner. , vol.21 , pp. 269
- Boisen Jr., M.B.¹ Gibbs, G.V.² Bukowinski, M.S.T.³

15
- 0002624487
- J. C. Schön M. Jansen Comput. Mater. Sci. 1995 4 43
- (1995) Comput. Mater. Sci. , vol.4 , pp. 43
- Schön, J.C.¹ Jansen, M.²

16
- 37049066455
- T. S. Bush C. R. A. Catlow P. D. Battle J. Mater. Chem. 1995 5 1269
- (1995) J. Mater. Chem. , vol.5 , pp. 1269
- Bush, T.S.¹ Catlow, C.R.A.² Battle, P.D.³

17
- 0000985489
- H. Putz J. C. Schön M. Jansen Comput. Mater. Sci. 1998 11 309
- (1998) Comput. Mater. Sci. , vol.11 , pp. 309
- Putz, H.¹ Schön, J.C.² Jansen, M.³

18
- 0033562076
- S. M. Woodley P. D. Battle J. D. Gale C. R. A. Catlow Phys. Chem. Chem. Phys. 1999 1 2535
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 2535
- Woodley, S.M.¹ Battle, P.D.² Gale, J.D.³ Catlow, C.R.A.⁴

19
- 0035148223
- N. L. Allan G. D. Barrera M. Yu. Lavrentiev I. L. Todorov J. A. Purton J. Mater. Chem. 2001 11 63
- (2001) J. Mater. Chem. , vol.11 , pp. 63
- Allan, N.L.¹ Barrera, G.D.² Yu., L.M.³ Todorov, I.L.⁴ Purton, J.A.⁵

20
- 0034600894
- C. Mellot-Draznieks J. M. Newsam A. M. Gorman C. M. Freeman G. Férey Angew. Chem., Int. Ed. 2000 39 2270
- (2000) Angew. Chem., Int. Ed. , vol.39 , pp. 2270
- Mellot-Draznieks, C.¹ Newsam, J.M.² Gorman, A.M.³ Freeman, C.M.⁴ Férey, G.⁵

21
- 0041317723
- B. Winkler C. J. Pickard V. Milman G. Thimm Chem. Phys. Lett. 2001 337 36
- (2001) Chem. Phys. Lett. , vol.337 , pp. 36
- Winkler, B.¹ Pickard, C.J.² Milman, V.³ Thimm, G.⁴

22
- 0037120167
- C. Mellot-Draznieks S. Girard G. Férey J. C. Schön Ž. Čančarević M. Jansen Chem.-Eur. J. 2002 8 4102
- (2002) Chem.-Eur. J. , vol.8 , pp. 4102
- Mellot-Draznieks, C.¹ Girard, S.² Férey, G.³ Schön, J.C.⁴ Čančarević, Ž.⁵ Jansen, M.⁶

23
- 33745634670
- A. R. Oganov C. W. Glass J. Chem. Phys. 2006 124 244704
- (2006) J. Chem. Phys. , vol.124 , pp. 244704
- Oganov, A.R.¹ Glass, C.W.²

24
- 33744467098
- J. C. Schön I. V. Pentin M. Jansen Phys. Chem. Chem. Phys. 2006 8 1778
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 1778
- Schön, J.C.¹ Pentin, I.V.² Jansen, M.³

25
- 26444479778
- S. Kirkpatrick C. D. Gelatt, Jr M. P. Vecchi Science 1983 220 671
- (1983) Science , vol.220 , pp. 671
- Kirkpatrick, S.¹ Gelatt Jr., C.D.² Vecchi, M.P.³

26
- 0021819411
- V. Czerny J. Optim. Theory Appl. 1985 45 41
- (1985) J. Optim. Theory Appl. , vol.45 , pp. 41
- Czerny, V.¹

27
- 0003463297
- University of Michigan Press, Ann Arbor
- J. Holland, Adaptation in Natural and Artificial Systems, University of Michigan Press, Ann Arbor, 1975
- (1975) Adaptation in Natural and Artificial Systems
- Holland, J.¹

28
- 37749025824
- R. L. Johnston, Springer, New York
- Applications of Evolutionary Computation in Chemistry (Structure and Bonding vol. 110), ed., R. L. Johnston,, Springer, New York, 2004
- (2004) Applications of Evolutionary Computation in Chemistry (Structure and Bonding Vol. 110), Ed.

29
- 33847361989
- S. M. Woodley Phys. Chem. Chem. Phys. 2007 9 1070
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 1070
- Woodley, S.M.¹

30
- 84930681108
- P. Sibani J. C. Schön P. Salamon J.-O. Andersson Europhys. Lett. 1993 22 479
- (1993) Europhys. Lett. , vol.22 , pp. 479
- Sibani, P.¹ Schön, J.C.² Salamon, P.³ Andersson, J.-O.⁴

31
- 0001335880
- J. C. Schön H. Putz M. Jansen J. Phys.: Condens. Matter 1996 8 143
- (1996) J. Phys.: Condens. Matter , vol.8 , pp. 143
- Schön, J.C.¹ Putz, H.² Jansen, M.³

32
- 0036790894
- A. Laio M. Parrinello Proc. Natl. Acad. Sci. U. S. A. 2002 99 12562
- (2002) Proc. Natl. Acad. Sci. U. S. A. , vol.99 , pp. 12562
- Laio, A.¹ Parrinello, M.²

33
- 20144372370
- R. Martoňàk A. Laio M. Bernasconi C. Ceriani P. Raiteri F. Zipoli M. Parrinello Z. Kristallogr. 2005 220 489
- (2005) Z. Kristallogr. , vol.220 , pp. 489
- Martoňàk, R.¹ Laio, A.² Bernasconi, M.³ Ceriani, C.⁴ Raiteri, P.⁵ Zipoli, F.⁶ Parrinello, M.⁷

34
- 37749025824
- R. L. Johnston, Springer, New York, p. 95
- S. M. Woodley, in: Applications of Evolutionary Computation in Chemistry (Structure and Bonding vol. 110), ed., R. L. Johnston,, Springer, New York, 2004, p. 95
- (2004) Applications of Evolutionary Computation in Chemistry (Structure and Bonding Vol. 110), Ed.
- Woodley, S.M.¹

35
- 33745496128
- Ž. Čančarević J. C. Schön M. Jansen Phys. Rev. B 2006 73 224114
- (2006) Phys. Rev. B , vol.73 , pp. 224114
- Čančarević, Ž.¹ Schön, J.C.² Jansen, M.³

36
- 33746609016
- R. Martoňàk D. Donadio A. R. Oganov M. Parrinello Nat. Mater. 2006 5 623
- (2006) Nat. Mater. , vol.5 , pp. 623
- Martoňàk, R.¹ Donadio, D.² Oganov, A.R.³ Parrinello, M.⁴

37
- 28844451187
- J. C. Schön M. Jansen Mater. Res. Soc. Symp. Proc. 2005 848 333
- (2005) Mater. Res. Soc. Symp. Proc. , vol.848 , pp. 333
- Schön, J.C.¹ Jansen, M.²

38
- 0001080464
- R. Hundt J. C. Schön A. Hannemann M. Jansen J. Appl. Crystallogr. 1999 32 413
- (1999) J. Appl. Crystallogr. , vol.32 , pp. 413
- Hundt, R.¹ Schön, J.C.² Hannemann, A.³ Jansen, M.⁴

39
- 0001746944
- A. Hannemann R. Hundt J. C. Schön M. Jansen J. Appl. Crystallogr. 1998 31 922
- (1998) J. Appl. Crystallogr. , vol.31 , pp. 922
- Hannemann, A.¹ Hundt, R.² Schön, J.C.³ Jansen, M.⁴

40
- 37749046521
- University of Bonn, Germany
- R. Hundt, KPLOT (version 9), University of Bonn, Germany, 2007
- (2007) KPLOT (Version 9)
- Hundt, R.¹

41
- 33645158480
- R. Hundt J. C. Schön M. Jansen J. Appl. Crystallogr. 2006 39 6
- (2006) J. Appl. Crystallogr. , vol.39 , pp. 6
- Hundt, R.¹ Schön, J.C.² Jansen, M.³

42
- 4043178974
- J. C. Schön Ž. Čančarević M. Jansen J. Chem. Phys. 2004 121 2289
- (2004) J. Chem. Phys. , vol.121 , pp. 2289
- Schön, J.C.¹ Čančarević, Ž.² Jansen, M.³

43
- 3142680298
- Ž. Čančarević J. C. Schön M. Jansen Proc. Prog. Mater. Sci. Process., Mater. Sci. Forum 2004 453 71
- (2004) Proc. Prog. Mater. Sci. Process., Mater. Sci. Forum , vol.453 , pp. 71
- Čančarević, Ž.¹ Schön, J.C.² Jansen, M.³

44
- 37749011312
- University of Torino, Torino
- R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, Ph. D'Arco and M. Llunell, CRYSTAL2006, University of Torino, Torino, 2006
- (2006) CRYSTAL2006
- Dovesi, R.¹ Saunders, V.R.² Roetti, C.³ Orlando, R.⁴ Zicovich-Wilson, C.M.⁵ Pascale, F.⁶ Civalleri, B.⁷ Doll, K.⁸ Harrison, N.M.⁹ Bush, I.J.¹⁰ D'Arco, Ph.¹¹ Llunell, M.¹²

45
- 0001672275
- M. Prencipe A. Zupan R. Dovesi E. Aprà V. R. Saunders Phys. Rev. B 1995 51 3391
- (1995) Phys. Rev. B , vol.51 , pp. 3391
- Prencipe, M.¹ Zupan, A.² Dovesi, R.³ Aprà, E.⁴ Saunders, V.R.⁵

46
- 0004204702
- Oxford University Press, Oxford
- J. Emsley, The Elements, Oxford University Press, Oxford, 1990
- (1990) The Elements
- Emsley, J.¹

47
- 0035281512
- K. Doll V. R. Saunders N. M. Harrison Int. J. Quantum Chem. 2001 82 1
- (2001) Int. J. Quantum Chem. , vol.82 , pp. 1
- Doll, K.¹ Saunders, V.R.² Harrison, N.M.³

48
- 0035370697
- K. Doll Comput. Phys. Commun. 2001 137 74
- (2001) Comput. Phys. Commun. , vol.137 , pp. 74
- Doll, K.¹

49
- 11944252045
- K. Doll R. Dovesi R. Orlando Theor. Chem. Acc. 2004 112 394
- (2004) Theor. Chem. Acc. , vol.112 , pp. 394
- Doll, K.¹ Dovesi, R.² Orlando, R.³

50
- 33646691532
- K. Doll R. Dovesi R. Orlando Theor. Chem. Acc. 2006 115 354
- (2006) Theor. Chem. Acc. , vol.115 , pp. 354
- Doll, K.¹ Dovesi, R.² Orlando, R.³

51
- 0001027957
- B. Civalleri Ph. D'Arco R. Orlando V. R. Saunders R. Dovesi Chem. Phys. Lett. 2000 348 131
- (2000) Chem. Phys. Lett. , vol.348 , pp. 131
- Civalleri, B.¹ D'Arco, Ph.² Orlando, R.³ Saunders, V.R.⁴ Dovesi, R.⁵

52
- 0141991888
- A. Kokalj Comput. Mater. Sci. 2003 28 155
- (2003) Comput. Mater. Sci. , vol.28 , pp. 155
- Kokalj, A.¹

53
- 0000621728
- K. Doll H. Stoll Phys. Rev. B 1997 56 10121
- (1997) Phys. Rev. B , vol.56 , pp. 10121
- Doll, K.¹ Stoll, H.²

54
- 0005715391
- K. Doll H. Stoll Phys. Rev. B 1997 57 4327
- (1997) Phys. Rev. B , vol.57 , pp. 4327
- Doll, K.¹ Stoll, H.²

55
- 84910157993
- University of Stuttgart
- Ž. Čančarević, PhD thesis, University of Stuttgart, 2006
- (2006) PhD Thesis
- Čančarević, Ž.¹

56
- 37749010623
- manuscript in preparation
- Ž. Čančarević, J. C. Schön and M. Jansen, manuscript in preparation
- Čančarević, Ž.¹ Schön, J.C.² Jansen, M.³

57
- 37749003614
- In all four instances, the minimization on the Hartree-Fock level yielded the undistorted LiF(I)-structure type This is supported by a study on the stability of MgO in the wurtzite-type, where the 5-5 structure was rediscovered and called h-MgO by the authors (see ref. 59)
- Note that the wurtzite structure has a lower energy than the 5-5-structure at the Hartree-Fock level, and that the reverse holds true at the DFT (LDA) level

58
- 0034897631
- S. Limpijumnong W. R. L. Lambrecht Phys. Rev. B 2001 63 104103
- (2001) Phys. Rev. B , vol.63 , pp. 104103
- Limpijumnong, S.¹ Lambrecht, W.R.L.²

59
- 0009831489
- V. A. Streltsov V. G. Tsirelson R. P. Ozerov O. A. Golovanov Kristallografiya 1987 33 90
- (1987) Kristallografiya , vol.33 , pp. 90
- Streltsov, V.A.¹ Tsirelson, V.G.² Ozerov, R.P.³ Golovanov, O.A.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.