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Journal of Chemical Physics

Volumn 115, Issue 15, 2001, Pages 7006-7014

Ab initio simulation of ammonia monohydrate (NH3·H2O) and ammonium hydroxide (NH4OH)

(5) Fortes, A D a Brodholt, J P a Wood, I G a Vocadlo L a Jenkins, H D B b

a UNIVERSITY OF LONDON (United Kingdom)

b UNIVERSITY OF WARWICK (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CURVE FITTING; ELASTIC MODULI; ELECTRON TRANSPORT PROPERTIES; ENTHALPY; EQUATIONS OF STATE; HYDROGEN BONDS; LATTICE CONSTANTS; MOLECULAR STRUCTURE; PHASE TRANSITIONS; POSITIVE IONS; PROTONS;

AB INITIO SIMULATION; AMMONIA MONOHYDRATE; AMMONIUM HYDROXIDE; ENTHALPY OF FORMATION; FIRST PSEUDOPOTENTIAL PLANE WAVE SIMULATIONS; FOURTH ORDER LOGARITHMIC EQUATION OF STATE; SOLID STATE PROTON TRANSFER REACTION;

AMMONIUM COMPOUNDS;

EID: 0035886123 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1398104 Document Type: Article

Times cited : (45)

References (50)

1
- 0002483150
- edited by M. H. Manghnani, W. J. Nellis, and M. T. Nicol (Universities Press, Hyderabad, India)
- (2000) Science and Technology of High Pressure: Proceedings of AIRAPT-17
- Loveday, J.¹ Nelmes, R.J.²

2
- 37049075594
- (1988) J. Chem. Soc. Dalton Trans. , vol.1988 , pp. 445
- Johnson, D.A.¹

3
- 0001430312
- (1981) Astrophys. J. , vol.249 , pp. 308
- Prinn, R.¹ Fegley, B.²

4
- 0000304521
- (1992) Icarus , vol.100 , pp. 556
- Kargel, J.S.¹

5
- 0033205815
- (1999) Planet. Space Sci. , vol.47 , pp. 1291
- Lunine, J.I.¹ Yung, Y.L.² Lorenz, R.D.³

6
- 0000744954
- (1988) Icarus , vol.73 , pp. 279
- Croft, S.K.¹ Lunine, J.I.² Kargel, J.S.³

7
- 0000477071
- (1987) J. Geophys. Res., [Space Phys.] , vol.92 , pp. 6339
- Johnson, M.L.¹ Nicol, M.²

8
- 0002666293
- ISIS Experimental Report, RB 11246
- (2000)
- Nelmes, R.J.¹

9
- 0002480147
- (unpublished)
- Fortes, A.D.¹ Vočadlo, L.² Brodholt, J.P.³ Wood, I.G.⁴

10
- 0002498342
- (unpublished)
- Fortes, A.D.¹ Vočadlo, L.² Brodholt, J.P.³ Wood, I.G.⁴

11
- 0002496291
- ISIS Experimental Report, RB 9412
- (1998)
- Nelmes, R.J.¹

12
- 0001435442
- (1987) J. Mol. Struct. , vol.160 , pp. 357
- Brink, G.¹ Glasser, L.²

13
- 10644250257
- (1964) Phys. Rev. B , vol.136
- Hohenberg, P.¹ Kohn, W.²

14
- 0042113153
- (1965) Phys. Rev. B , vol.140
- Kohn, W.¹ Sham, L.J.²

15
- 0002773810
- (1992) Phys. Rev. B , vol.45 , pp. 13
- Perdew, J.P.¹ Wang, Y.²

16
- 0001040318
- (1997) Phys. Rev. B , vol.55 , pp. 10157
- Hamann, D.R.¹

17
- 0035281210
- (2001) J. Chem. Phys. , vol.114 , pp. 3949
- Tsuzuki, S.¹ Lüthi, H.P.²

18
- 20544463457
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

19
- 0002851062
- (1996) Phys. Rev. B , vol.54 , pp. 11
- Kresse, G.¹ Furthmüller, J.²

20
- 1842816907
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

21
- 4444340929
- (1956) J. Chem. Phys. , vol.24 , pp. 1139
- Benedict, W.S.¹

22
- 0034305957
- (2000) Chem. Phys. , vol.260 , pp. 65
- Demaison, J.¹ Margulès, L.² Boggs, J.E.³

23
- 0002723783
- (1997) Chem. Phys. Lett. , vol.280 , pp. 73
- Andrews, S.B.¹ Burton, N.A.² Hillier, I.H.³

24
- 0030010453
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 1511
- Scheiner, S.¹ Čuma, M.²

25
- 0034297821
- (2000) J. Phys.: Condens. Matter , vol.12 , pp. 8595
- Matsuo, T.¹ Inaba, A.² Yamamuro, O.³ Onada-Yamamuro, N.⁴

26
- 0001261361
- (1952) J. Geophys. Res. , vol.57 , pp. 227
- Birch, F.¹

27
- 0032455767
- (1998) Phys. Earth Planet. Inter. , vol.109 , pp. 1
- Poirier, J.-P.¹ Tarantola, A.²

28
- 0000311055
- (1944) Proc. Natl. Acad. Sci. USA , vol.30 , pp. 244
- Murnaghan, F.D.¹

29
- 0001753062
- (1984) Phys. Rev. B , vol.29 , pp. 2963
- Rose, J.H.¹ Smith, J.R.² Guinea, F.³ Ferrante, J.⁴

30
- 33748897934
- (1988) Phys. Rev. B , vol.38 , pp. 8463
- Sikka, S.K.¹

31
- 0033894303
- (2000) Acta Mater. , vol.48 , pp. 71
- Hafner, J.¹

32
- 0000744954
- (1988) Icarus , vol.73 , pp. 279
- Croft, S.K.¹ Lunine, J.I.² Kargel, J.³

33
- 0000307223
- (1998) Phys. Rev. B , vol.57 , pp. 2134
- Fuchs, M.¹ Bockstedte, M.² Pehlke, E.³ Scheffler, M.⁴

34
- 4243428603
- (1999) Inorg. Chem. , vol.38 , pp. 3609
- Jenkins, H.D.B.¹ Roobottom, H.K.² Passmore, J.³ Glasser, L.⁴

35
- 0035217283
- (2001) Appl. Geochem. , vol.16 , pp. 161
- Mercury, L.¹ Vieillard, P.² Tardy, Y.³

36
- 0000720845
- (1995) J. Chem. Phys. , vol.102 , pp. 4400
- Leclercq, F.¹ Damay, P.² Foukani, M.³

37
- 0002559857
- (1985) J. Chem. Phys. , vol.83 , pp. 1449
- Bertie, J.E.¹ Shehata, M.R.²

38
- 0000280556
- (1994) Phys. Rev. B , vol.49 , pp. 12540
- Besson, J.M.¹ Pruzan, Ph.² Klotz, S.³

39
- 0000800050
- (1994) J. Chem. Phys. , vol.100 , pp. 2128
- Ojamäe, L.¹ Hermansson, K.² Dovesi, R.³ Roetti, C.⁴ Saunders, V.R.⁵

40
- 0000053132
- (1983) Rev. Chim. Miner. , vol.20 , pp. 588
- Giguere, P.A.¹

41
- 0002608564
- (1984) J. Mol. Spectrosc. , vol.103 , pp. 436
- Amano, T.¹

42
- 85006565212
- (1995) J. Mol. Struct. , vol.345 , pp. 77
- Brown, R.J.C.¹

43
- 33750008383
- (1989) Acta Crystallogr., Sect. B: Struct. Sci. , vol.45 , pp. 212
- Lawson, A.C.¹ Roof, R.B.² Jorgensen, J.D.³ Morosin, B.⁴ Schirber, J.E.⁵

44
- 0034322185
- (2000) J. Phys. Chem. A , vol.104 , pp. 10901
- Van Reeuwijk, S.J.¹ Van Beek, K.G.² Feil, D.³

45
- 0003921420
- translated by J. Schmorak (Humphrey Scientific Publishers, Ann Arbor, MI)
- (1970) Thermodynamic Constants of Inorganic and Organic Compounds
- Karapet'yants, M.Kh.¹ Karapet'yants, M.L.²

46
- 0034235645
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2903
- Johnson, D.A.¹

47
- 0001084767
- (1953) J. Am. Chem. Soc. , vol.75 , pp. 2811
- Hildenbrand, D.L.¹ Giaque, W.F.²

48
- 0001476327
- (1999) J. Chem. Phys. , vol.110 , pp. 5861
- Alavi, A.¹ Lynden-Bell, R.M.² Brown, R.J.C.³

49
- 0003998388
- edited by David R. Lide (CRC, Boca Raton, FL)
- (2001) CRC Handbook of Chemistry and Physics, 81st Ed.

50
- 21344499076
- (1993) J. Solution Chem. , vol.22 , pp. 1029
- Jenkins, H.D.B.¹

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