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The Journal of Chemical Physics

Volumn 59, Issue 11, 1973, Pages 5842-5848

Study of the structure of molecular complexes. V. Heat of formation for the Li+, Na+, K+, F-, and Cl - ion complexes with a single water molecule

(3) Kistenmacher, H a Popkie, H a Clementi, E a

a IBM ALMADEN RESEARCH CENTER (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0008281410 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1679952 Document Type: Article

Times cited : (241)

References (18)

1
- 0010264774
- (1972) J. Chem. Phys. , vol.57 , pp. 1077
- Clementi, E.¹ Popkie, H.²

2
- 36849107307
- (1973) J. Chem. Phys. , vol.58 , pp. 1689
- Kistenmacher, H.¹ Popkie, H.² Clementi, E.³

3
- 51149211046
- (1973) J. Chem. Phys. , vol.58 , pp. 5627
- Kistenmacher, H.¹ Popkie, H.² Clementi, E.³

4
- 84861347360
- One of us (E. C.) has first considered the statistical model in a study of atomic correlation correction
- (1968) J. Chem. Phys. , vol.43 , pp. 2415
- Veillard, A.¹ Clementi, E.²

5
- 84951250264
- A systematic study for the atoms He to Kr has been presented by E. Clementi in The Chemistry of the Cyano-Group, edited by Z.
- Rappaport (Interscience, New York, 1970), Chap. 1. One of us (E. C.) would like to acknowledge several discussions held with the late professor P. Gombas at the International Quantum Chemistry Symposium held in Hungary in 1968.

6
- 0012731821
- See, for example
- (1972) J. Chem. Phys. , vol.57 , pp. 4870
- Clementi, E.¹ Popkie, H.²

7
- 84951234899
- see, in addition
- (North Holland, Amsterdam). A good review paper on the correlation energy as a functional of the density is in P. Gombas Pseudopotentiale (Springer-Verlag, New York, 1967), Vol. XX.
- (1972) Physics of Electronic and Atomic Collisions, VII ICPEAC-1971 , pp. 399
- Clementi, E.¹

8
- 0002587106
- (1962) J. Chem. Phys. , vol.36 , pp. 33
- Clementi, E.¹

9
- 0003588966
- (Van Nostrand, New York); Chap. 2
- (1945) Molecular Spectra and Molecular Structure. Vol. 2 , pp. 179
- Herzberg, G.¹

10
- 0000375311
- (1972) J. Chem. Phys. , vol.57 , pp. 5044
- Dunning, T.H.¹ Pitzer, R.M.² Aung, S.³

11
- 0000660466
- (1971) J. Chem. Phys. , vol.55 , pp. 4851
- Ermler, W.C.¹ Kern, C.W.²

12
- 33645821085
- (1934) Phys. Rev. , vol.46 , pp. 1002
- Wigner, E.P.¹

13
- 0042643164
- (1970) J. Phys. Chem. , vol.74 , pp. 1475
- Arshadi, M.¹ Yamdagni, R.² Kebarle, P.³

14
- 85038169871
- Note: From the distribution of experimental data given in Ref. 11, we would suspect that the error and covarience in Arshadi is from ±1 to ±3 kcal/mole.

15
- 0000101212
- (1973) , vol.59 , pp. 1325
- Popkie, H.¹ Kistenmacher, H.² Clementi, E.³

16
- 84951230382
- Study of the structure of molecular complexes.
- VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation (unpublished);
- Kistenmacher, H.¹ Lie, G.C.² Popkie, H.³ Clementi, E.⁴

17
- 84951230382
- Study of the structure of molecular complexes.
- VII. Comments on the effects of the electronic correlation energy corrections in Monte Carlo simulations of liquid water (unpublished);
- Kistenmacher, H.¹ Popkie, H.² Clementi, E.³

18
- 84951230382
- Study of the structure of molecular complexes.
- VIII. Small clusters of water molecules surrounding the [formula omitted] [formula omitted] [formula omitted] [formula omitted] and [formula omitted] Ions” (unpublished).
- Kistenmacher, H.¹ Popkie, H.² Clementi, E.³

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