-
1
-
-
0034035614
-
Bio-inorganic chemistry: Newly charted waters
-
DOI 10.1016/S1367-5931(99)00065-4
-
S. J. Lippard and J. M. Berg, Curr. Opin. Chem. Biol. 4, 137 (2000). 10.1016/S1367-5931(99)00065-4 (Pubitemid 30189302)
-
(2000)
Current Opinion in Chemical Biology
, vol.4
, Issue.2
, pp. 137-139
-
-
Lippard, S.J.1
Berg, J.M.2
-
2
-
-
0035826612
-
Structural characterization of NaOH aqueous solution in the glass and liquid states
-
DOI 10.1063/1.1362177
-
F. Bruni, M. A. Ricci, and A. K. Soper, J. Chem. Phys. 114, 8056 (2001). 10.1063/1.1362177 (Pubitemid 32486720)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.18
, pp. 8056-8063
-
-
Bruni, F.1
Ricci, M.A.2
Soper, A.K.3
-
3
-
-
2942696389
-
-
10.1063/1.1705572
-
A. Botti, F. Bruni, S. Imberti, M. A. Ricci, and A. K. Soper, J. Chem. Phys. 120, 10154 (2004). 10.1063/1.1705572
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 10154
-
-
Botti, A.1
Bruni, F.2
Imberti, S.3
Ricci, M.A.4
Soper, A.K.5
-
4
-
-
21444438653
-
Ions in water: The microscopic structure of concentrated hydroxide solutions
-
DOI 10.1063/1.1899147, 194509
-
S. Imberti, A. Botti, F. Bruni, G. Cappa, M. A. Ricci, and A. K. Soper, J. Chem. Phys. 122, 194509 (2005). 10.1063/1.1899147 (Pubitemid 40914337)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.19
, pp. 1-9
-
-
Imberti, S.1
Botti, A.2
Bruni, F.3
Cappa, G.4
Ricci, M.A.5
Soper, A.K.6
-
5
-
-
34249997342
-
-
10.1039/b701855j
-
R. Mancinelli, A. Botti, F. Bruni, M. A. Ricci, and A. K. Soper, Phys. Chem. Chem. Phys. 9, 2959 (2007). 10.1039/b701855j
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 2959
-
-
Mancinelli, R.1
Botti, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
6
-
-
37248998947
-
Hydration of sodium, potassium, and chloride ions in solution and the concept of structure maker/breaker
-
DOI 10.1021/jp075913v
-
R. Mancinelli, A. Botti, F. Bruni, M. A. Ricci, and A. K. Soper, J. Phys. Chem. B 11, 13570 (2007). 10.1021/jp075913v (Pubitemid 350275460)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.48
, pp. 13570-13577
-
-
Mancinelli, R.1
Botti, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
7
-
-
65249088059
-
-
10.1021/jp805220j
-
R. Mancinelli, A. Sodo, F. Bruni, M. A. Ricci, and A. K. Soper, J. Phys. Chem. B 113, 4075 (2009). 10.1021/jp805220j
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 4075
-
-
Mancinelli, R.1
Sodo, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
8
-
-
78751518982
-
-
10.1063/1.3528000
-
K. Winkel, M. Seidl, T. Loerting, L. E. Bove, S. Imberti, V. Molinero, F. Bruni, R. Mancinelli, and M. A. Ricci, J. Chem. Phys. 134, 024515 (2011). 10.1063/1.3528000
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 024515
-
-
Winkel, K.1
Seidl, M.2
Loerting, T.3
Bove, L.E.4
Imberti, S.5
Molinero, V.6
Bruni, F.7
Mancinelli, R.8
Ricci, M.A.9
-
9
-
-
82555191248
-
-
10.1021/jp202755u
-
T. Corridoni, R. Mancinelli, M. A. Ricci, and F. Bruni, J. Phys. Chem. B 115, 14008 (2011). 10.1021/jp202755u
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 14008
-
-
Corridoni, T.1
Mancinelli, R.2
Ricci, M.A.3
Bruni, F.4
-
12
-
-
33645662402
-
-
10.1021/jp054699c
-
C. D. Cappa, J. D. Smith, B. M. Messer, R. C. Cohen, and R. J. Saykally, J. Phys. Chem. B 110, 5301 (2006). 10.1021/jp054699c
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 5301
-
-
Cappa, C.D.1
Smith, J.D.2
Messer, B.M.3
Cohen, R.C.4
Saykally, R.J.5
-
13
-
-
77954946659
-
-
10.1021/jp103526y
-
H. K. Kulik, N. Marzari, A. A. Correa, D. Prendergast, E. Schwegler, and G. Galli, J. Phys. Chem. B 114, 9594 (2010). 10.1021/jp103526y
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 9594
-
-
Kulik, H.K.1
Marzari, N.2
Correa, A.A.3
Prendergast, D.4
Schwegler, E.5
Galli, G.6
-
14
-
-
25144442696
-
A first-principles molecular dynamics study of calcium in water
-
DOI 10.1002/cphc.200500053
-
F. C. Lightstone, E. Schwegler, M. Allesch, F. Gygi, and G. Galli, Chem. Phys. Chem. 6, 1745 (2005). 10.1002/cphc.200500053 (Pubitemid 41334774)
-
(2005)
ChemPhysChem
, vol.6
, Issue.9
, pp. 1745-1749
-
-
Lightstone, F.C.1
Schwegler, E.2
Allesch, M.3
Gygi, F.4
Galli, G.5
-
15
-
-
0035941544
-
Hydration of the calcium ion. An EXAFS,large-angle X-ray scattering, and molecular dynamics simulation study
-
DOI 10.1021/ja001533a
-
F. Jalilehvand, D. Spangberg, P. Lindqvist-Reis, K. Hermansson, I. Persson, and M. Sandstrm, J. Am. Chem. Soc. 123, 431 (2001). 10.1021/ja001533a (Pubitemid 32105132)
-
(2001)
Journal of the American Chemical Society
, vol.123
, Issue.3
, pp. 431-441
-
-
Jalilehvand, F.1
Spangberg, D.2
Lindqvist-Reis, P.3
Hermansson, K.4
Persson, I.5
Sandstrom, M.6
-
16
-
-
0000387156
-
A first principles molecular dynamics simulation of the hydrated magnesium ion
-
DOI 10.1016/S0009-2614(01)00735-7, PII S0009261401007357
-
F. C. Lightstone, E. Schwegler, R. Q. Hood, F. Gygi, and G. Galli, Chem. Phys. Lett. 343, 549 (2001). 10.1016/S0009-2614(01)00735-7 (Pubitemid 33628369)
-
(2001)
Chemical Physics Letters
, vol.343
, Issue.5-6
, pp. 549-555
-
-
Lightstone, F.C.1
Schwegler, E.2
Hood, R.Q.3
Gygi, F.4
Galli, G.5
-
18
-
-
33845378345
-
-
10.1021/j100251a007
-
M. M. Probst, T. Radnai, K. Heinzinger, P. Bopp, and B. M. Rode, J. Phys. Chem. 89, 753 (1985). 10.1021/j100251a007
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 753
-
-
Probst, M.M.1
Radnai, T.2
Heinzinger, K.3
Bopp, P.4
Rode, B.M.5
-
20
-
-
0011219948
-
-
10.1016/0009-2614(77)80016-X
-
R. Caminiti, G. Licheri, G. Piccaluga, and G. Pinna, Chem. Phys. Lett. 47, 275 (1977). 10.1016/0009-2614(77)80016-X
-
(1977)
Chem. Phys. Lett.
, vol.47
, pp. 275
-
-
Caminiti, R.1
Licheri, G.2
Piccaluga, G.3
Pinna, G.4
-
24
-
-
0041885122
-
-
IOP Conference Proceedings No. 97, edited by D. K. Hyer (Institute of Physics and Physical Society, London), Also see for detailed information on the SANDALS diffractometer
-
A. K. Soper, in Proceedings of the Conference on Advanced Neutron Sources 1988, IOP Conference Proceedings No. 97, edited by, D. K. Hyer, (Institute of Physics and Physical Society, London, 1989), p. 353. Also see www.isis.stfc.ac.uk for detailed information on the SANDALS diffractometer.
-
(1989)
Proceedings of the Conference on Advanced Neutron Sources 1988
, pp. 353
-
-
Soper, A.K.1
-
25
-
-
84857326193
-
-
See for information about data handling codes
-
See www.disordmat.moonfruit.com for information about data handling codes.
-
-
-
-
26
-
-
42949094115
-
Study of percolation and clustering in supercritical water- C O2 mixtures
-
DOI 10.1063/1.2898538
-
A. Botti, F. Bruni, R. Mancinelli, M. A. Ricci, F. Lo Celso, R. Triolo, F. Ferrante, and A. K. Soper, J. Chem. Phys. 128, 164504 (2008). 10.1063/1.2898538 (Pubitemid 351620531)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.16
, pp. 164504
-
-
Botti, A.1
Bruni, F.2
Mancinelli, R.3
Ricci, M.A.4
Lo Celso, F.5
Triolo, R.6
Ferrante, F.7
Soper, A.K.8
-
27
-
-
84915486634
-
-
10.1080/10448639208218770
-
V. F. Sears, Neutron News 3, 26 (1992). 10.1080/10448639208218770
-
(1992)
Neutron News
, vol.3
, pp. 26
-
-
Sears, V.F.1
-
28
-
-
0030543757
-
Empirical potential Monte Carlo simulation of fluid structure
-
DOI 10.1016/0301-0104(95)00357-6
-
A. K. Soper, Chem. Phys. 202, 295 (1996). 10.1016/0301-0104(95)00357-6 (Pubitemid 126021878)
-
(1996)
Chemical Physics
, vol.202
, Issue.2-3
, pp. 295-306
-
-
Soper, A.K.1
-
29
-
-
0034662899
-
-
10.1016/S0301-0104(00)00179-8
-
A. K. Soper, Chem. Phys. 258, 121 (2000). 10.1016/S0301-0104(00)00179-8
-
(2000)
Chem. Phys.
, vol.258
, pp. 121
-
-
Soper, A.K.1
-
30
-
-
0035840770
-
Tests of the empirical potential structure refinement method and a new method of application to neutron diffraction data on water
-
DOI 10.1080/00268970110056889
-
A. K. Soper, Mol. Phys. 99, 1503 (2001). 10.1080/00268970110056889 (Pubitemid 35227804)
-
(2001)
Molecular Physics
, vol.99
, Issue.17
, pp. 1503-1516
-
-
Soper, A.K.1
-
31
-
-
0013018685
-
-
in F. P. Ricci: His Legacy and Future Perspectives of Neutron Spectroscopy, Vol., edited by M. Nardone and M. A. Ricci (Italian Physical Society, Bologna)
-
F. Bruni, M. A. Ricci, and A. K. Soper, in F. P. Ricci: His Legacy and Future Perspectives of Neutron Spectroscopy, Conference Proceedings, Vol. 76, edited by, M. Nardone, and, M. A. Ricci, (Italian Physical Society, Bologna, 2000), p. 37-48.
-
(2000)
Conference Proceedings
, vol.76
, pp. 37-48
-
-
Bruni, F.1
Ricci, M.A.2
Soper, A.K.3
-
32
-
-
42949139280
-
-
10.1088/0953-8984/19/41/415108
-
A. K. Soper, J. Phys.: Condens. Matter 19, 415108 (2007). 10.1088/0953-8984/19/41/415108
-
(2007)
J. Phys.: Condens. Matter
, vol.19
, pp. 415108
-
-
Soper, A.K.1
-
35
-
-
0142025560
-
-
10.1021/cr00019a014
-
H. Ohtaki and T. Radnai, Chem. Rev. 93, 1157 (1993). 10.1021/cr00019a014
-
(1993)
Chem. Rev.
, vol.93
, pp. 1157
-
-
Ohtaki, H.1
Radnai, T.2
|