-
3
-
-
0025625379
-
-
0362-1626,. 10.1146/annurev.eg.15.110190.000413
-
G. J. MacDonald, Annu. Rev. Energy 0362-1626 15, 53 (1990). 10.1146/annurev.eg.15.110190.000413
-
(1990)
Annu. Rev. Energy
, vol.15
, pp. 53
-
-
MacDonald, G.J.1
-
4
-
-
0024233957
-
-
0009-2541,. 10.1016/0009-2541(88)90104-0
-
K. A. Kvenvolden, Chem. Geol. 0009-2541 71, 41 (1988). 10.1016/0009-2541(88)90104-0
-
(1988)
Chem. Geol.
, vol.71
, pp. 41
-
-
Kvenvolden, K.A.1
-
5
-
-
0028283853
-
Computer simulation of the crystal growth and dissolution of natural gas hydrates
-
DOI 10.1111/j.1749-6632.1994.tb38833.x
-
L. A. Báez and P. Clancy, Ann. N. Y. Acad. Sci. 715, 177 (1994). 10.1111/j.1749-6632.1994.tb38833.x 0077-8923 (Pubitemid 24193715)
-
(1994)
Annals of the New York Academy of Sciences
, vol.715
, pp. 177-186
-
-
Baez, L.A.1
Clancy, P.2
-
6
-
-
84869713761
-
-
Ph.D. thesis, Cornell University.
-
L. A. Báez, Ph.D. thesis, Cornell University, 1996.
-
(1996)
-
-
Báez, L.A.1
-
9
-
-
29744457041
-
Molecular-dynamics simulations of methane hydrate dissociation
-
DOI 10.1063/1.2138697, 244503
-
N. J. English, J. K. Johnson, and C. E. Taylor, J. Chem. Phys. 0021-9606 123, 244503 (2005). 10.1063/1.2138697 (Pubitemid 43032175)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.24
, pp. 1-12
-
-
English, N.J.1
Johnson, J.K.2
Taylor, C.E.3
-
10
-
-
63849256201
-
-
1089-5639,. 10.1021/jp807208z
-
E. M. Myshakin, H. Jiang, R. P. Warzinski, and K. D. Jordan, J. Phys. Chem. A 1089-5639 113, 1913 (2009). 10.1021/jp807208z
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 1913
-
-
Myshakin, E.M.1
Jiang, H.2
Warzinski, R.P.3
Jordan, K.D.4
-
11
-
-
0004016501
-
-
0021-9606,. 10.1063/1.445869
-
W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 0021-9606 79, 926 (1983). 10.1063/1.445869
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
12
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
DOI 10.1021/ja9621760, PII S0002786396021762
-
W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 0002-7863 118, 11225 (1996). 10.1021/ja9621760 (Pubitemid 26399746)
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
13
-
-
26444620175
-
2 hydrate phase equilibrium and cage occupancy from ab initio intermolecular potentials
-
DOI 10.1016/j.gca.2005.05.012, PII S0016703705004357
-
R. Sun and Z. H. Duan, Geochim. Cosmochim. Acta 0016-7037 69, 4411 (2005). 10.1016/j.gca.2005.05.012 (Pubitemid 41430778)
-
(2005)
Geochimica et Cosmochimica Acta
, vol.69
, Issue.18
, pp. 4411-4424
-
-
Sun, R.1
Duan, Z.2
-
14
-
-
84869713757
-
-
See EPAPS supplementary material at E-JCPSA6-131-021933 for more technical details of model development.
-
See EPAPS supplementary material at http://dx.doi.org/10.1063/1.3211089 E-JCPSA6-131-021933 for more technical details of model development.
-
-
-
-
15
-
-
47849105809
-
-
0021-9606,. 10.1063/1.2925680
-
E. A. Mastny and J. J. de Pablo, J. Chem. Phys. 0021-9606 129, 034701 (2008). 10.1063/1.2925680
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 034701
-
-
Mastny, E.A.1
De Pablo, J.J.2
-
17
-
-
34347338604
-
Molecular dynamics simulations of methane hydrate using polarizable force fields
-
DOI 10.1021/jp068505k
-
H. Jiang, K. D. Jordan, and C. E. Taylor, J. Phys. Chem. B 1089-5647 111, 6486 (2007). 10.1021/jp068505k (Pubitemid 47012651)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.23
, pp. 6486-6492
-
-
Jiang, H.1
Jordan, K.D.2
Taylor, C.E.3
-
18
-
-
10444290718
-
-
1089-5647,. 10.1021/jp047448x
-
B. J. Anderson, J. W. Tester, and B. L. Trout, J. Phys. Chem. B 1089-5647 108, 18705 (2004). 10.1021/jp047448x
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 18705
-
-
Anderson, B.J.1
Tester, J.W.2
Trout, B.L.3
-
19
-
-
29344456170
-
Properties of inhibitors of methane hydrate formation via molecular dynamics simulations
-
DOI 10.1021/ja0554965
-
B. J. Anderson, J. W. Tester, G. P. Borghi, and B. L. Trout, J. Am. Chem. Soc. 0002-7863 127, 17852 (2005). 10.1021/ja0554965 (Pubitemid 43003397)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.50
, pp. 17852-17862
-
-
Anderson, B.J.1
Tester, J.W.2
Borghi, G.P.3
Trout, B.L.4
-
20
-
-
33645961739
-
-
0021-9606,. 10.1063/1.470117
-
U. Essman, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 0021-9606 103, 8577 (1995). 10.1063/1.470117
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577
-
-
Essman, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
21
-
-
0000337849
-
-
0378-4371,. 10.1016/0378-4371(89)90068-X
-
J. Lekner, Physica A 0378-4371 157, 826 (1989). 10.1016/0378-4371(89) 90068-X
-
(1989)
Physica A
, vol.157
, pp. 826
-
-
Lekner, J.1
-
22
-
-
34547887373
-
-
0378-4371,. 10.1016/0378-4371(91)90226-3
-
J. Lekner, Physica A 0378-4371 176, 485 (1991). 10.1016/0378-4371(91) 90226-3
-
(1991)
Physica A
, vol.176
, pp. 485
-
-
Lekner, J.1
-
23
-
-
0031327211
-
-
0129-1831, 10.1142/S0129183197001144
-
N. Grønbech-Jensen, Int. J. Mod. Phys. C 0129-1831 8, 1287 (1997). 10.1142/S0129183197001144
-
(1997)
Int. J. Mod. Phys. C
, vol.8
, pp. 1287
-
-
Grønbech-Jensen, N.1
-
24
-
-
0037059212
-
-
0026-8976,. 10.1080/0026897021000028438
-
N. J. English and J. M. D. MacElroy, Mol. Phys. 0026-8976 100, 3753 (2002). 10.1080/0026897021000028438
-
(2002)
Mol. Phys.
, vol.100
, pp. 3753
-
-
English, N.J.1
MacElroy, J.M.D.2
-
26
-
-
48749148224
-
-
0021-9991,. 10.1016/0021-9991(83)90014-1
-
H. C. Andersen, J. Comput. Phys. 0021-9991 52, 24 (1983). 10.1016/0021-9991(83)90014-1
-
(1983)
J. Comput. Phys.
, vol.52
, pp. 24
-
-
Andersen, H.C.1
-
27
-
-
0001538909
-
-
1050-2947,. 10.1103/PhysRevA.31.1695
-
W. G. Hoover, Phys. Rev. A 1050-2947 31, 1695 (1985). 10.1103/PhysRevA.31.1695
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
28
-
-
84925711387
-
-
0026-8976,. 10.1080/00268979300100371
-
S. Melchionna, G. Ciccotti, and B. L. Holian, Mol. Phys. 0026-8976 78, 533 (1993). 10.1080/00268979300100371
-
(1993)
Mol. Phys.
, vol.78
, pp. 533
-
-
Melchionna, S.1
Ciccotti, G.2
Holian, B.L.3
-
29
-
-
33748614582
-
Molecular insights into the heterogeneous crystal growth of sImethane hydrate
-
DOI 10.1021/jp061684l
-
J. Vatamanu and P. G. Kusalik, J. Phys. Chem. B 1089-5647 110, 15896 (2006). 10.1021/jp061684l (Pubitemid 44375676)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.32
, pp. 15896-15904
-
-
Vatamanu, J.1
Kusalik, P.G.2
-
33
-
-
4243665195
-
-
0163-1829,. 10.1103/PhysRevB.60.11765
-
K. Allen and F. Hellman, Phys. Rev. B 0163-1829 60, 11765 (1999). 10.1103/PhysRevB.60.11765
-
(1999)
Phys. Rev. B
, vol.60
, pp. 11765
-
-
Allen, K.1
Hellman, F.2
-
34
-
-
0034622998
-
Quantized phonon spectrum of single-wall carbon nanotubes
-
DOI 10.1126/science.289.5485.1730
-
J. Hone, B. Batlogg, Z. Benes, A. T. Johnson, and E. J. Fischer, Science 0036-8075 289, 1730 (2000). 10.1126/science.289.5485.1730 (Pubitemid 30683634)
-
(2000)
Science
, vol.289
, Issue.5485
, pp. 1730-1733
-
-
Hone, J.1
Batlogg, B.2
Benes, Z.3
Johnson, A.T.4
Fischer, J.E.5
-
35
-
-
54049154771
-
-
0026-8976,. 10.1080/00268970802360348
-
N. J. English, Mol. Phys. 0026-8976 106, 1887 (2008). 10.1080/00268970802360348
-
(2008)
Mol. Phys.
, vol.106
, pp. 1887
-
-
English, N.J.1
-
36
-
-
0008932443
-
-
0163-1829,. 10.1103/PhysRevB.34.5058
-
A. J. C. Ladd, W. Moran, and W. G. Hoover, Phys. Rev. B 0163-1829 34, 5058 (1986). 10.1103/PhysRevB.34.5058
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5058
-
-
Ladd, A.J.C.1
Moran, W.2
Hoover, W.G.3
-
37
-
-
0032216060
-
The diffusional transport of methane in liquid water: Method and result of experimental investigation at elevated pressure
-
DOI 10.1016/S0920-4105(98)00048-5, PII S0920410598000485
-
W. Sachs, J. Pet. Sci. Eng. 0920-4105 21, 153 (1998). 10.1016/S0920-4105(98)00048-5 (Pubitemid 29134348)
-
(1998)
Journal of Petroleum Science and Engineering
, vol.21
, Issue.3-4
, pp. 153-164
-
-
Sachs, W.1
|