메뉴 건너뛰기
Journal of Chemical Physics
Volumn 116, Issue 1, 2002, Pages 196-202
An ab initio study of water molecules in the bromide ion solvation shell
(2)
Raugei, Simone
a
Klein, Michael L
a
a
UNIVERSITY OF PENNSYLVANIA
(
United States
)
Author keywords
[No Author keywords available]
Indexed keywords
BROMINE COMPOUNDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NEGATIVE IONS; SOLUTIONS; WATER;
CAR-PARRINELLO APPROACH; HYDROGEN BROMIDE; MOLECULAR DIPOLE MOMENT; SOLVATION SHELL STRUCTURE;
IONS;
EID
:
0036140587
PISSN
:
00219606
EISSN
:
None
Source Type
:
Journal
DOI
:
10.1063/1.1421366
Document Type
:
Article
Times cited : (
152
)
References (
78
)
1
0034662843
(2000)
Chem. Phys.
, vol.258
, pp. 107
Soper, A.K.
1
Rossky, P.J.
2
2
37049068456
(1988)
Faraday Discuss. Chem. Soc.
, vol.85
, pp. 137
Powell, D.H.
1
Barnes, A.C.
2
Enderby, J.E.
3
Neilson, G.W.
4
Salmon, P.S.
5
3
0035896355
(2001)
Science
, vol.291
, pp. 2118
Kropman, M.F.
1
Bakker, H.J.
2
4
0003960149
(Wiley, Chichester)
(1997)
The Chemistry of Aqua Ions
Richens, D.T.
1
5
0142025560
(1993)
Chem. Rev.
, vol.93
, pp. 1157
Ohtaki, H.
1
Radnai, T.
2
6
33751499423
(1991)
J Phys. Chem.
, vol.95
, pp. 8575
Bergström, P.-A.
1
Lindgren, J.
2
Kristiansson, O.
3
7
0000682382
(1996)
J. Phys. Chem.
, vol.100
, pp. 15677
Obst, S.
1
Bradaczek, H.
2
8
0001382594
(1995)
Chem. Phys. Lett.
, vol.241
, pp. 450
Tũnón, I.
1
Martins-Costa, M.T.C.
2
Millot, C.
3
Ruiz-López, M.F.
4
9
0031570131
(1997)
Chem. Phys.
, vol.218
, pp. 31
Truong, T.N.
1
Stefanovich, E.V.
2
10
0031208134
(1997)
J. Phys. Chem A
, vol.101
, pp. 6299
Tongraar, A.
1
Liedl, K.R.
2
Rode, B.M.
3
11
0001010422
(1998)
J. Phys. Chem A
, vol.102
, pp. 10340
Tongraar, A.
1
Leidl, K.R.
2
Rode, B.M.
3
12
0034624397
(1999)
J. Am. Chem. Soc.
, vol.122
, pp. 966
Rempe, S.B.
1
Pratt, L.R.
2
Hummer, G.
3
Kress, J.D.
4
Martin, R.L.
5
Redondo, A.
6
13
33845551710
(1983)
J. Phys. Chem.
, vol.87
, pp. 5071
Impey, R.W.
1
Madden, P.A.
2
McDonald, I.R.
3
14
33845379042
(1984)
J. Am. Chem. Soc.
, vol.107
, pp. 154
Chandrasehar, J.
1
Smith, S.F.
2
Jorgensen, W.L.
3
15
0542436236
(1995)
J. Phys. Chem.
, vol.99
, pp. 5749
Tuckerman, M.
1
Laasonen, K.
2
Sprik, M.
3
Parrinello, M.
4
16
0001114793
(2000)
Chem. Phys. Lett.
, vol.322
, pp. 447
Lubin, M.I.
1
Bylaska, E.J.
2
Weare, J.H.
3
17
0031586190
(1997)
Chem. Phys. Lett.
, vol.273
, pp. 360
Marx, D.
1
Sprik, M.
2
Parrinello, M.
3
18
0001497164
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2893
Meijer, E.
1
Sprik, M.
2
19
0000381544
(1999)
J. Chem. Phys.
, vol.111
, pp. 1587
Ramaniah, L.M.
1
Bernasconi, M.
2
Parrinello, M.
3
20
0034269312
(2000)
J. Chem. Phys.
, vol.113
, pp. 4668
White, J.A.
1
Schwegler, E.
2
Galli, G.
3
Gygi, F.
4
21
0035249799
(2001)
J Chem. Phys.
, vol.114
, pp. 3120
Lyubartsev, A.P.
1
Laasonen, K.
2
Laaksonen, A.
3
22
0035793354
(2001)
Science
, vol.291
, pp. 856
Pasquarello, A.
1
Petri, I.
2
Salmon, P.L.
3
Parisel, O.
4
Car, R.
5
Tóth, É.
6
Powell, D.H.
7
Fischer, H.E.
8
Helm, L.
9
Merbach, A.E.
10
23
0034662845
(2000)
Chem. Phys.
, vol.258
, pp. 163
Yarne, D.A.
1
Tuckerman, M.E.
2
Klein, M.L.
3
24
0002000140
(2000)
Chem. Phys. Lett.
, vol.325
, pp. 7
Gora, R.W.
1
Roszak, S.
2
Leszczynski, J.
3
25
0034662894
(2000)
Chem. Phys.
, vol.258
, pp. 201
Peslherbe, G.H.
1
Ladanyi, B.M.
2
Hynes, J.T.
3
26
0032517714
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 5326
Hamm, P.
1
Lim, M.
2
Hochstrasser, R.M.
3
27
0031696437
(1998)
J Phys. Chem. A
, vol.102
, pp. 503
Choi, J.-H.
1
Kuwata, K.T.
2
Cao, Y.-B.
3
Okumura, M.
4
28
0000732976
(1998)
J. Phys. Chem.
, vol.102
, pp. 3067
Ayotte, P.
1
Bailey, C.G.
2
Weddle, G.H.
3
Johnson, M.A.
4
29
0000190847
(1999)
J. Phys. Chem.
, vol.103
, pp. 443
Ayotte, P.
1
Bailey, C.G.
2
Weddle, G.H.
3
Johnson, M.A.
4
30
0042643164
(1970)
J. Phys. Chem.
, vol.74
, pp. 1475
Arshaldi, M.
1
Yamdagni, R.
2
Kebarle, P.
3
31
33845280769
(1988)
J. Phys. Chem.
, vol.92
, pp. 3943
Hiraoka, K.
1
Miseze, S.
2
Yamabe, S.
3
32
36449003625
(1991)
J. Chem. Phys.
, vol.95
, pp. 9416
Markovich, G.
1
Giniger, R.
2
Levin, M.
3
Cheshnovsky, O.
4
33
36449006022
(1994)
J. Chem. Phys.
, vol.101
, pp. 9344
Markovich, G.
1
Pollack, S.
2
Giniger, R.
3
Cheshnovsky, O.
4
34
33751154959
(1995)
J. Phys. Chem.
, vol.99
, pp. 7829
Steel, E.A.
1
Merz, J.K.M.
2
Selinger, A.
3
Castleman, J.A.W.
4
35
0001348052
(1995)
Chem. Phys. Lett.
, vol.241
, pp. 457
Marx, D.
1
Hutter, J.
2
Parrinello, M.
3
36
22244482712
(1991)
J. Chem. Phys.
, vol.95
, pp. 1954
Perera, L.
1
Berkowitz, M.L.
2
37
0000599035
(1993)
J. Chem. Phys.
, vol.99
, pp. 4236
Perera, L.
1
Berkowitz, M.L.
2
38
0000153331
(1999)
J. Phys. Chem. A
, vol.103
, pp. 10300
Stuart, S.J.
1
Berne, B.J.
2
39
0031094244
(1997)
J. Phys. Chem. A
, vol.101
, pp. 2055
Coe, J.V.
1
40
0000014236
(1993)
Chem. Phys. Lett.
, vol.203
, pp. 423
Combariza, J.E.
1
Kestner, N.R.
2
Jortner, J.
3
41
0035932734
(2001)
J. Chem. Phys.
, vol.114
, pp. 7036
Tobias, D.J.
1
Jungwirth, P.
2
Parrinello, M.
3
42
0035827207
(2001)
J. Chem. Phys.
, vol.114
, pp. 9758
Schlegel, H.B.
1
Milam, J.M.
2
Iyngar, S.S.
3
Voth, G.A.
4
Daniels, A.D.
5
Scuseria, G.E.
6
Frisch, M.J.
7
43
0030197443
(1996)
J. Phys. Chem.
, vol.100
, pp. 11934
Stuart, S.J.
1
Berne, B.J.
2
44
0007828697
(1993)
J. Chem. Phys.
, vol.99
Dang, L.X.
1
Garrett, B.C.
2
45
33748907734
(1996)
J. Phys. Chem.
, vol.100
, pp. 16410
Lyubartsev, A.P.
1
Laaksonen, A.
2
46
0001372109
(1988)
J. Chem. Phys.
, vol.89
, pp. 7492
Lin, S.
1
Jordan, P.C.
2
47
0001349870
(1998)
J. Chem. Phys.
, vol.109
, pp. 6839
Ramaniah, L.M.
1
Bernasconi, M.
2
Parrinello, M.
3
48
0003827495
edited by M.-C. Belliment-Funel and G. W. Neilson (Reidel, Dordrecht)
(1987)
The Physical Chemistry of Aqueous Solution
Bopp, P.
1
49
0011108916
(1994)
J. Chem. Phys.
, vol.100
, pp. 3757
Smith, D.E.
1
Dang, L.X.
2
50
2042467135
(1990)
J. Phys. Chem.
, vol.94
, pp. 6483
Sprik, M.
1
Klein, M.L.
2
Watanabe, K.
3
51
0035896421
(2001)
Science
, vol.291
, pp. 2106
Klein, M.L.
1
52
4243606192
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
Car, R.
1
Parrinello, M.
2
53
0000042113
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2481
Dang, L.X.
1
Rice, J.E.
2
Caldwell, J.
3
Kollman, P.A.
4
54
0000086725
(1992)
J. Chem. Phys.
, vol.96
, pp. 6970
Dang, L.X.
1
55
0001498808
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11620
Laasonen, K.
1
Klein, M.L.
2
56
33645426115
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
Troullier, N.
1
Martins, J.L.
2
57
0001723472
(1996)
J. Chem. Phys.
, vol.105
, pp. 1142
Sprik, M.
1
Hutter, J.
2
Parrinello, M.
3
58
0342338546
Computational approaches to novel condensed matter systems
edited by D. Neilson and M. P. Das (Plenum, New York)
(1995)
Proceedings of the 3rd Gordon Godfrey Workshop on Condensed Physics
Giannozzi, P.
1
59
0001161603
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425
Kleinman, L.
1
Bylander, D.M.
2
60
0001652762
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
Hamprecht, F.A.
1
Cohen, A.J.
2
Tozer, D.J.
3
Handy, N.C.
4
61
0346189340
(2000)
J. Chem. Phys.
, vol.112
, pp. 1670
Boese, A.D.
1
Doltsinis, N.L.
2
Handy, N.C.
3
Sprik, M.
4
62
0035280645
(2001)
J. Chem. Phys.
, vol.114
, pp. 4089
Raugei, S.
1
Cardini, G.
2
Schettino, V.
3
63
0034924437
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 2559
Pagliai, M.
1
Raugei, S.
2
Cardini, G.
3
Schettino, V.
4
64
0035250161
(2001)
J. Phys. Chem. A
, vol.105
, pp. 895
Parthiban, S.
1
De Oliveira, G.
2
Martin, J.M.L.
3
65
4243553426
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
Becke, A.D.
1
66
0345491105
(1988)
Phys. Rev. B
, vol.37
, pp. 785
Lee, C.
1
Yang, W.
2
Parr, R.G.
3
67
0003964561
(Elsevier, Amsterdam)
(1985)
Densities of Aqueous Solution of Inorganic Substances
Söhnel, O.
1
Novotny, P.
2
68
0007772774
CPMD, MPI für Festkörperforschung and IBM Zurich Research Laboratory
(1995)
Hutter, J.
1
Alavi, A.
2
Deutch, T.
3
Bernasconi, M.
4
Goedecker, S.
5
Marx, D.
6
Tuckerman, M.
7
Parrinello, M.
8
69
0035955186
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 9484
Raugei, S.
1
Klein, M.L.
2
70
0001520446
(1981)
Bull. Chem. Soc. Jpn.
, vol.54
, pp. 1314
Othono, N.
1
Arakawa, K.
2
Takeuchi, M.
3
Yamagughi, T.
4
Ohtaki, H.
5
71
33845281708
(1987)
J. Phys. Chem.
, vol.91
, pp. 4934
Haughney, M.
1
Ferrario, M.
2
Donald, I.R.M.
3
72
33845377546
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 7793
Lybrand, T.P.
1
Ghosh, I.
2
McCammon, J.A.
3
73
2542436054
(1957)
Discuss. Faraday Soc.
, vol.24
, pp. 133
Frank, H.S.
1
Wen, W.-Y.
2
74
4243690324
(1997)
Phys. Rev. B
, vol.56
, pp. 12847
Marzari, N.
1
Vanderbilt, D.
2
75
0032066447
(1998)
Solid State Commun.
, vol.107
, pp. 7
Silvestrelli, P.L.
1
Marzari, N.
2
Vanderbilt, D.
3
Parrinello, M.
4
76
18344379950
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3308
Silvestrelli, P.L.
1
Parrinello, M.
2
77
0142057630
(1990)
J. Chem. Phys.
, vol.111
, pp. 3572
Silvestrelli, P.L.
1
Parrinello, M.
2
78
0001374686
(1999)
J. Phys. Chem. B
, vol.103
, pp. 3706
Geissler, P.L.
1
Dellago, C.
2
Chandler, S.
3
* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.
