-
1
-
-
0003882080
-
-
Franks, F., Ed.; Plenum Press: New York
-
Water, a comprehensive treatise; Franks, F., Ed.; Plenum Press: New York, 1972.
-
(1972)
Water, a Comprehensive Treatise
-
-
-
2
-
-
0004165770
-
-
Institut Scientifique de Cargèse, Corsica, April 3-15; Kluwer Academic Publishers: Dordrecht,; Boston, 1991
-
Dore, J. C.; Teixeira, J. Hydrogen-bonded liquids: proceedings of the NATO Advanced Study Institute on Hydrogen-bonded Liquids, Institut Scientifique de Cargèse, Corsica, April 3-15, 1989 Kluwer Academic Publishers: Dordrecht,; Boston, 1991.
-
(1989)
Hydrogen-Bonded Liquids: Proceedings of the NATO Advanced Study Institute on Hydrogen-Bonded Liquids
-
-
Dore, J.C.1
Teixeira, J.2
-
10
-
-
0011616073
-
-
Ding, K.; Chandler, D.; Smithline, S. J.; Haymet, A. D. J. Phys. Rev. Lett. 1987, 59, 1698-1701.
-
(1987)
J. Phys. Rev. Lett.
, vol.59
, pp. 1698-1701
-
-
Ding, K.1
Chandler, D.2
Smithline, S.J.3
Haymet, A.D.4
-
13
-
-
11744348751
-
-
Hummer, G.; Garde, S.; Garcia, A. E.; Paulaitis, M. E.; Pratt, L. R. J. Phys. Chem. B 1998, 102, 10469-10482.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 10469-10482
-
-
Hummer, G.1
Garde, S.2
Garcia, A.E.3
Paulaitis, M.E.4
Pratt, L.R.5
-
18
-
-
0001426197
-
-
Matubayasi, N.; Gallicchio, E.; Levy, R. M. J. Chem. Phys. 1998, 109, 4864-4872.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 4864-4872
-
-
Matubayasi, N.1
Gallicchio, E.2
Levy, R.M.3
-
19
-
-
0034662846
-
-
Luzar, A. Chem. Phys. 2000, 258, 267-276.
-
(2000)
Chem. Phys.
, vol.258
, pp. 267-276
-
-
Luzar, A.1
-
21
-
-
3442898090
-
-
Starr, F. W.; Harrington, S.; Sciortino, F.; Stanley, H. E. Phys. Rev. Lett. 1999, 82, 3629-3632.
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3629-3632
-
-
Starr, F.W.1
Harrington, S.2
Sciortino, F.3
Stanley, H.E.4
-
23
-
-
20544474772
-
-
Sorenson, J. M.; Hura, G.; Soper, A. K.; Pertsemlidis, A.; Head-Gordon, T. J. Phys. Chem. B 1999, 103, 5413-5426.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 5413-5426
-
-
Sorenson, J.M.1
Hura, G.2
Soper, A.K.3
Pertsemlidis, A.4
Head-Gordon, T.5
-
24
-
-
0011550795
-
-
Pullman, B., Ed.; D. Reidel. Sold and distributed in the U.S.A. and Canada by Kluwer: Boston, Dordrecht
-
Berendsen, H.; Postma, J.; van Gunsteren, W. F.; Hermans, J. In Intermolecular forces: proceedings of the Fourteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry; Pullman, B., Ed.; D. Reidel. Sold and distributed in the U.S.A. and Canada by Kluwer: Boston, Dordrecht, 1981, Vol. 14.
-
(1981)
Intermolecular Forces: Proceedings of the Fourteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry
, vol.14
-
-
Berendsen, H.1
Postma, J.2
Van Gunsteren, W.F.3
Hermans, J.4
-
25
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
26
-
-
0004016501
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
30
-
-
0000298606
-
-
Svishchev, I. M.; Kusalik, P. G.; Wang, J.; Boyd, R. J. J. Chem. Phys. 1996, 105, 4742-4750.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 4742-4750
-
-
Svishchev, I.M.1
Kusalik, P.G.2
Wang, J.3
Boyd, R.J.4
-
31
-
-
0000782351
-
-
Chen, B.; Xing, J. H.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 2391-2401.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 2391-2401
-
-
Chen, B.1
Xing, J.H.2
Siepmann, J.I.3
-
33
-
-
0343614206
-
-
van der Spoel, D.; van Maaren, P. J.; Berendsen, H. J. C. J. Chem. Phys. 1998, 108, 10220-10230.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 10220-10230
-
-
Van Der Spoel, D.1
Van Maaren, P.J.2
Berendsen, H.J.C.3
-
34
-
-
0001349177
-
-
Liu, Y. P.; Kim, K.; Berne, B. J.; Friesner, R. A.; Rick, S. W. J. Chem. Phys. 1998, 108, 4739-4755.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4739-4755
-
-
Liu, Y.P.1
Kim, K.2
Berne, B.J.3
Friesner, R.A.4
Rick, S.W.5
-
35
-
-
0001651619
-
-
Schwegler, E.; Galli, G.; Gygi, F. Phys. Rev. Lett. 2000, 84, 2429-2432.
-
(2000)
Phys. Rev. Lett.
, vol.84
, pp. 2429-2432
-
-
Schwegler, E.1
Galli, G.2
Gygi, F.3
-
37
-
-
0001723472
-
-
Sprik, M.; Hutter, J.; Parrinello, M. J. Chem. Phys. 1996, 105, 1142-1152.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1142-1152
-
-
Sprik, M.1
Hutter, J.2
Parrinello, M.3
-
39
-
-
0004036385
-
-
Prigogine, I., Rice, S. A., Eds.; Wiley: New York
-
Karnicky, J. F.; Pings, C. J. In Advances in Chemical Physics; Prigogine, I., Rice, S. A., Eds.; Wiley: New York, 1976; Vol. 34.
-
(1976)
Advances in Chemical Physics
, vol.34
-
-
Karnicky, J.F.1
Pings, C.J.2
-
40
-
-
0034317110
-
-
Hura, G.; Sorenson, J. M.; Glaeser, R. M.; Head-Gordon, T. J. Chem. Phys. 2000, 113, 9140-9148.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9140-9148
-
-
Hura, G.1
Sorenson, J.M.2
Glaeser, R.M.3
Head-Gordon, T.4
-
41
-
-
0034316640
-
-
Sorenson, J. M.; Hura, G.; Glaeser, R. M.; Head-Gordon, T. J. Chem. Phys. 2000, 113, 9149-9161.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9149-9161
-
-
Sorenson, J.M.1
Hura, G.2
Glaeser, R.M.3
Head-Gordon, T.4
-
42
-
-
0000212228
-
-
Bosio, L.; Teixeira, J.; Dore, J. C.; Steytler, D. C.; Chieux, P. Mol. Phys. 1983, 50, 733-740.
-
(1983)
Mol. Phys.
, vol.50
, pp. 733-740
-
-
Bosio, L.1
Teixeira, J.2
Dore, J.C.3
Steytler, D.C.4
Chieux, P.5
-
43
-
-
0001201225
-
-
Bellissentfunel, M. C.; Teixeira, J.; Bosio, L.; Dore, J. C. J. Phys.-Condens. Matter. 1989, 1, 7123-7129.
-
(1989)
J. Phys.-Condens. Matter.
, vol.1
, pp. 7123-7129
-
-
Bellissentfunel, M.C.1
Teixeira, J.2
Bosio, L.3
Dore, J.C.4
-
44
-
-
4243468632
-
-
Starr, F. W.; Bellissent-Funel, M. C.; Stanley, H. E. Phys. Rev. E 1999, 60, 1084-1087.
-
(1999)
Phys. Rev. E
, vol.60
, pp. 1084-1087
-
-
Starr, F.W.1
Bellissent-Funel, M.C.2
Stanley, H.E.3
-
45
-
-
0034655315
-
-
Dore, J. C.; Sufi, M. A. M.; Bellissent-Funel, M. C. Phys. Chem. Chem. Phys. 2000, 2, 1599-1602.
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 1599-1602
-
-
Dore, J.C.1
Sufi, M.A.M.2
Bellissent-Funel, M.C.3
-
48
-
-
0035245205
-
-
Nakahara, M.; Matubayasi, N.; Wakai, C.; Tsujino, Y. J. Mol. Liq. 2001, 90, 75-83.
-
(2001)
J. Mol. Liq.
, vol.90
, pp. 75-83
-
-
Nakahara, M.1
Matubayasi, N.2
Wakai, C.3
Tsujino, Y.4
-
49
-
-
0031533783
-
-
Ohtaki, H.; RAdnai, T.; Yamaguchi, T. Chem. Soc. Rev. 1997, 26, 41-51.
-
(1997)
Chem. Soc. Rev.
, vol.26
, pp. 41-51
-
-
Ohtaki, H.1
Radnai, T.2
Yamaguchi, T.3
-
50
-
-
0027723541
-
-
Postorino, P.; Tromp, R. H.; Ricci, M. A.; Soper, A. K.; Neilson, G. W. Nature 1993, 366, 668-670.
-
(1993)
Nature
, vol.366
, pp. 668-670
-
-
Postorino, P.1
Tromp, R.H.2
Ricci, M.A.3
Soper, A.K.4
Neilson, G.W.5
-
51
-
-
0034662992
-
-
Dore, J. Chem. Phys. 2000, 258, 327-347.
-
(2000)
Chem. Phys.
, vol.258
, pp. 327-347
-
-
Dore, J.1
-
52
-
-
0343887053
-
-
Enderby, J. E.; Howells, W. S.; Howe, R. A. Chem. Phys. Lett. (Netherlands) 1973, 21, 109-12.
-
(1973)
Chem. Phys. Lett. (Netherlands)
, vol.21
, pp. 109-112
-
-
Enderby, J.E.1
Howells, W.S.2
Howe, R.A.3
-
54
-
-
36449006885
-
-
Luzar, A.; Soper, A. K.; Chandler, D. J. Chem. Phys. 1993, 99, 6836-6847.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 6836-6847
-
-
Luzar, A.1
Soper, A.K.2
Chandler, D.3
-
57
-
-
0000325986
-
-
Neuefeind, J.; Zeidler, M. D.; Poulsen, H. F. Mol. Phys. 1996, 87, 189-201.
-
(1996)
Mol. Phys.
, vol.87
, pp. 189-201
-
-
Neuefeind, J.1
Zeidler, M.D.2
Poulsen, H.F.3
-
59
-
-
0033404370
-
-
Hura, G.; Sorenson, J. M.; Glaeser, R. M.; Head-Gordon, T. Perspect. Drug Discovery Des. 1999, 17, 97-118.
-
(1999)
Perspect. Drug Discovery Des.
, vol.17
, pp. 97-118
-
-
Hura, G.1
Sorenson, J.M.2
Glaeser, R.M.3
Head-Gordon, T.4
-
60
-
-
84985217492
-
-
Dubochet J.; Lepault, J.; Freeman, R.; Berriman, J. A.; Homo, J. C. J. Microsc. (UK) 1982, 128, pt. 3, 219-37.
-
(1982)
J. Microsc. (UK)
, vol.128
, Issue.PART 3
, pp. 219-237
-
-
Dubochet, J.1
Lepault, J.2
Freeman, R.3
Berriman, J.A.4
Homo, J.C.5
-
63
-
-
0003882080
-
-
Franks, F., Ed.; Plenum Press: New York
-
Narten, A. H.; Levy, H. A. In Water A Comprehensive Treatise; Franks, F., Ed.; Plenum Press: New York, 1972; Vol. 1.
-
(1972)
Water a Comprehensive Treatise
, vol.1
-
-
Narten, A.H.1
Levy, H.A.2
-
64
-
-
0003882080
-
-
Franks, F., Ed.; Plenum Press: New York
-
Blum L. In Water, A comprehensive treatise; Franks, F., Ed.; Plenum Press: New York, 1976; Vol. 3.
-
(1976)
Water, a Comprehensive Treatise
, vol.3
-
-
Blum, L.1
-
66
-
-
0039421745
-
-
Okhulkov, A. V.; Demianets, Y. N.; Gorbaty, Y. E. J. Chem. Phys. 1994, 100, 1578-1588.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1578-1588
-
-
Okhulkov, A.V.1
Demianets, Y.N.2
Gorbaty, Y.E.3
-
67
-
-
84987156810
-
-
Takeuchi, H.; Nakagawa, M.; Saito T.; Egawa, T.; Tanaka, K.; Konaka, S. Int. J. Quantum Chem. 1994, 52, 1339-1348.
-
(1994)
Int. J. Quantum Chem.
, vol.52
, pp. 1339-1348
-
-
Takeuchi, H.1
Nakagawa, M.2
Saito, T.3
Egawa, T.4
Tanaka, K.5
Konaka, S.6
-
71
-
-
0011611021
-
-
Neilson, G. W.; Cummings, S. Conference Proceedings of Workshop on Sample Environments in Neutron and X-ray Experiments, Grenoble, France, Feb 13-15, 1983; pp 803-5.
-
Conference Proceedings of Workshop on Sample Environments in Neutron and X-ray Experiments, Grenoble, France, Feb 13-15, 1983
, pp. 803-805
-
-
Neilson, G.W.1
Cummings, S.2
-
74
-
-
0001659987
-
-
Postorino, P.; Ricci, M. A.; Soper, A. K. J. Chem. Phys. 1994, 101, 4123-4132.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4123-4132
-
-
Postorino, P.1
Ricci, M.A.2
Soper, A.K.3
-
78
-
-
84913414021
-
-
Coppens, P.; Guru Row: T. N.; Leung, P.; Stevens, E. D.; Becker, P. J.; Yang, Y. W. Conference Proceedings of Ewald Dynamical Diffraction Symposium, Norman, Oklahoma, 1979; pp 63-72.
-
Conference Proceedings of Ewald Dynamical Diffraction Symposium, Norman, Oklahoma, 1979
, pp. 63-72
-
-
Coppens, P.1
Guru Row, T.N.2
Leung, P.3
Stevens, E.D.4
Becker, P.J.5
Yang, Y.W.6
-
79
-
-
0003720732
-
-
Pethrick, R. A., Dawkins, J. V., Eds.; J. Wiley: New York
-
King, S. M. In Modern techniques for polymer characterisation; Pethrick, R. A., Dawkins, J. V., Eds.; J. Wiley: New York. 1999.
-
(1999)
Modern Techniques for Polymer Characterisation
-
-
King, S.M.1
-
80
-
-
0003720732
-
-
Pethrick, R. A., Dawkins, J. V., Eds.; Wiley: New York
-
King S. M. In Modern Techniques for Polymer Characterization; Pethrick, R. A., Dawkins, J. V., Eds.; Wiley: New York, 1999.
-
(1999)
Modern Techniques for Polymer Characterization
-
-
King, S.M.1
-
81
-
-
0003919796
-
-
Taylor & Francis, Halsted Press: London, New York
-
Windsor, C. G. Pulsed neutron scattering; Taylor & Francis, Halsted Press: London, New York, 1981.
-
(1981)
Pulsed Neutron Scattering
-
-
Windsor, C.G.1
-
83
-
-
0011548083
-
-
note
-
Reference deleted on revision.
-
-
-
-
85
-
-
0003562723
-
-
CLRC Isis Facility, Rutherford-Appleton Laboratory: United Kingdom
-
Soper, A. K.; Howells, W. S.; Hannon, A. C.; Turner, J. Z.; Bowron, D. T. ATLAS: Analysis of time-of-flight diffractometer data from liquid and amorphous samples; CLRC Isis Facility, Rutherford-Appleton Laboratory: United Kingdom, 2000.
-
(2000)
ATLAS: Analysis of Time-of-flight Diffractometer Data from Liquid and Amorphous Samples
-
-
Soper, A.K.1
Howells, W.S.2
Hannon, A.C.3
Turner, J.Z.4
Bowron, D.T.5
-
87
-
-
0000045983
-
-
Dwiggins, C. W.; Jr.; Park, D. A. Acta Crystallogr., Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr. 1971, 27 (3), 264-272.
-
(1971)
Acta Crystallogr., Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr.
, vol.27
, Issue.3
, pp. 264-272
-
-
Dwiggins C.W., Jr.1
Park, D.A.2
-
89
-
-
0000703993
-
-
Tavard, C.; Nicolas, D.; Rouault, M. J. Chim. Phys. 1967, 64, 540.
-
(1967)
J. Chim. Phys.
, vol.64
, pp. 540
-
-
Tavard, C.1
Nicolas, D.2
Rouault, M.3
-
90
-
-
0000402151
-
-
Wang, J. H.; Tripathi, A. N.; Smith, V. H. J. Chem. Phys. 1994, 101, 4842-4854.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4842-4854
-
-
Wang, J.H.1
Tripathi, A.N.2
Smith, V.H.3
-
91
-
-
0000104240
-
-
Watanabe, N.; Ten-no, S.; Pal, S.; Iwata, S.; Udagawa, Y. J. Chem. Phys. 1999, 111, 827-832.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 827-832
-
-
Watanabe, N.1
Ten-No, S.2
Pal, S.3
Iwata, S.4
Udagawa, Y.5
-
92
-
-
0032025502
-
-
Watanabe, N.; Hayashi, H.; Udagawa, Y.; TenNo, S.; Iwata, S. J. Chem. Phys. 1998, 108, 4545-4553.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4545-4553
-
-
Watanabe, N.1
Hayashi, H.2
Udagawa, Y.3
Tenno, S.4
Iwata, S.5
-
96
-
-
36849096816
-
-
Clough, S. A.; Beers, Y.; Klein, G. P.; Rothman, L. S. J. Chem. Phys. 1973, 59, 2254-9.
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2254-2259
-
-
Clough, S.A.1
Beers, Y.2
Klein, G.P.3
Rothman, L.S.4
-
97
-
-
0004039398
-
-
International Union of Crystallography. Oxford University Press: New York
-
Coppens, P. X-ray charge densities and chemical bonding; International Union of Crystallography. Oxford University Press: New York. 1997.
-
(1997)
X-ray Charge Densities and Chemical Bonding
-
-
Coppens, P.1
-
98
-
-
84931270541
-
-
Hansen, N. K.; Coppens, P. Acta Crystallogr., Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr. 1978, 34 (6), 909-921.
-
(1978)
Acta Crystallogr., Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr.
, vol.34
, Issue.6
, pp. 909-921
-
-
Hansen, N.K.1
Coppens, P.2
-
99
-
-
4243589932
-
-
Chang S.; Head-Gordon, T.; Glaeser, R. M.; Downing, K. H. Acta Crystallogr., Sect. A 1999, 55, 305-313.
-
(1999)
Acta Crystallogr., Sect. A
, vol.55
, pp. 305-313
-
-
Chang, S.1
Head-Gordon, T.2
Glaeser, R.M.3
Downing, K.H.4
-
100
-
-
0036107260
-
-
Zhong, S. J.; Dadarlat, V.; Head-Gordon, T.; Glaeser, R. M.; Dowing, K. H. Acta Crystallogr. Sect. A, 2002, 58, 162-170.
-
(2002)
Acta Crystallogr. Sect. A
, vol.58
, pp. 162-170
-
-
Zhong, S.J.1
Dadarlat, V.2
Head-Gordon, T.3
Glaeser, R.M.4
Dowing, K.H.5
-
101
-
-
0007300482
-
-
Hove, L. V. Phys. Rev. 1954, 95, 249-262.
-
(1954)
Phys. Rev.
, vol.95
, pp. 249-262
-
-
Hove, L.V.1
-
103
-
-
2442545593
-
-
Soper, A. K.; Bruni, F.; Ricci, M. A. J. Chem. Phys. 1997, 106, 247-254.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 247-254
-
-
Soper, A.K.1
Bruni, F.2
Ricci, M.A.3
-
105
-
-
0031548629
-
-
Zetterstrom, P.; Soper, A. K.; Schofield, P. Phys. B 1997, 234, 337-339.
-
(1997)
Phys. B
, vol.234
, pp. 337-339
-
-
Zetterstrom, P.1
Soper, A.K.2
Schofield, P.3
-
107
-
-
0001195124
-
-
Zetterstrom, P.; Soper, A. K.; Schofield, P. Mol. Phys. 1996, 88, 1621-1634.
-
(1996)
Mol. Phys.
, vol.88
, pp. 1621-1634
-
-
Zetterstrom, P.1
Soper, A.K.2
Schofield, P.3
-
110
-
-
36149033061
-
-
Bellissentfunel, M. C.; Bosio, L.; Teixeira, J. J. Phys.-Condens. Matter. 1991, 3, 4065-4074.
-
(1991)
J. Phys.-Condens. Matter.
, vol.3
, pp. 4065-4074
-
-
Bellissentfunel, M.C.1
Bosio, L.2
Teixeira, J.3
-
113
-
-
36749110135
-
-
Narten, A. H.; Venkatesh, C. G.; Rice, S. A. J. Chem. Phys. 1976, 64, 1106-21.
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 1106-1121
-
-
Narten, A.H.1
Venkatesh, C.G.2
Rice, S.A.3
-
117
-
-
0004207349
-
-
Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York
-
Wallqvist, A.; Moutain, R. D. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 1999; Vol. 13.
-
(1999)
Reviews in Computational Chemistry
, vol.13
-
-
Wallqvist, A.1
Moutain, R.D.2
-
119
-
-
0029011701
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
120
-
-
0041784950
-
-
MacKerell, A. D.; Bashford, D.; Bellott, M.; Dunbrack, R. L.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; JosephMcCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E.; Roux, B.; Schlenkrich, M.; Smith, J. C.; Stote, R.; Straub, J.; Watanabe, M.; WiorkiewiczKuczera, J.; Yin, D.; Karplus, M. J. Phys. Chem. B 1998, 102, 3586-3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
JosephMcCarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
WiorkiewiczKuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
122
-
-
0000924030
-
-
Barnes, P.; Finney, J. L.; Nicholas, N. D.; Quinn, J. E. Nature 1979, 282, 459-64.
-
(1979)
Nature
, vol.282
, pp. 459-464
-
-
Barnes, P.1
Finney, J.L.2
Nicholas, N.D.3
Quinn, J.E.4
-
129
-
-
36949017804
-
-
Ahlstrom, P.; Wallqvist, A.; Engstrom, S.; Jonsson, B. Mol. Phys. 1989, 68, 563-81.
-
(1989)
Mol. Phys.
, vol.68
, pp. 563-581
-
-
Ahlstrom, P.1
Wallqvist, A.2
Engstrom, S.3
Jonsson, B.4
-
131
-
-
33751158545
-
-
Bernardo, D. N.; Ding, Y. B.; Kroghjespersen, K.; Levy, R. M. J. Phys. Chem. 1994, 98, 4180-4187.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4180-4187
-
-
Bernardo, D.N.1
Ding, Y.B.2
Kroghjespersen, K.3
Levy, R.M.4
-
133
-
-
18144397095
-
-
Brodholt, J.; Sampoli, M.; Vallauri, R. Mol. Phys. 1995, 86, 149-158.
-
(1995)
Mol. Phys.
, vol.86
, pp. 149-158
-
-
Brodholt, J.1
Sampoli, M.2
Vallauri, R.3
-
134
-
-
0035424605
-
-
Stern, H. A.; Rittner, F.; Berne, B. J.; Friesner, R. A. J. Chem. Phys. 2001, 115, 2237-2251.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2237-2251
-
-
Stern, H.A.1
Rittner, F.2
Berne, B.J.3
Friesner, R.A.4
-
135
-
-
36749117171
-
-
Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801-7.
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 3801-3807
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
138
-
-
0001251663
-
-
Toukan, K.; Rahman, A. Phys. Rev. B, Condens. Matter 1985, 31, 2643-8.
-
(1985)
Phys. Rev. B, Condens. Matter
, vol.31
, pp. 2643-2648
-
-
Toukan, K.1
Rahman, A.2
-
140
-
-
0001692893
-
-
Zhu, S. B.; Yao, S.; Zhu, J. B.; Singh, S.; Robinson, G. W. J. Phys. Chem. 1991, 95, 6211-6217.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 6211-6217
-
-
Zhu, S.B.1
Yao, S.2
Zhu, J.B.3
Singh, S.4
Robinson, G.W.5
-
143
-
-
0035913514
-
-
Lefohn, A. E.; Ovchinnikov, M.; Voth, G. A. J. Phys. Chem. B 2001, 105, 6628-6637.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6628-6637
-
-
Lefohn, A.E.1
Ovchinnikov, M.2
Voth, G.A.3
-
145
-
-
0009522723
-
-
Delbuono, G. S.; Rossky, P. J.; Schnitker, J. J. Chem. Phys. 1991, 95, 3728-3737.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 3728-3737
-
-
Delbuono, G.S.1
Rossky, P.J.2
Schnitker, J.3
-
151
-
-
36449007976
-
-
York, D. M.; Darden, T. A.; Pedersen, L. G. J. Chem. Phys. 1993, 99, 8345-8348.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 8345-8348
-
-
York, D.M.1
Darden, T.A.2
Pedersen, L.G.3
-
152
-
-
0033104039
-
-
Darden, T.; Perera, L.; Li, L. P.; Pedersen, L. Struct. Fold. Des. 1999, 7 R55-R60.
-
(1999)
Struct. Fold. Des.
, vol.7
-
-
Darden, T.1
Perera, L.2
Li, L.P.3
Pedersen, L.4
-
154
-
-
36449003554
-
-
Martyna, G. J.; Tobias, D. J.; Klein, M. L. J. Chem. Phys. 1994, 101, 4177-4189.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4177-4189
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
157
-
-
0003974931
-
-
Grotendorst, J., Ed.; John von Neumann Institute for Computing: Juelich
-
Marx, D.; Hutter, J. In Modern methods and algorithms in Quantum Chemistry; Grotendorst, J., Ed.; John von Neumann Institute for Computing: Juelich, 2000; Vol. 1.
-
(2000)
Modern Methods and Algorithms in Quantum Chemistry
, vol.1
-
-
Marx, D.1
Hutter, J.2
-
160
-
-
36449007103
-
-
Yamanaka, K.; Yamaguchi, T.; Wakita, H. J. Chem. Phys. 1994, 101, 9830-9836.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 9830-9836
-
-
Yamanaka, K.1
Yamaguchi, T.2
Wakita, H.3
-
162
-
-
0032072663
-
-
Jedlovszky, P.; Brodholt, J. P.; Bruni, F.; Ricci, M. A.; Soper, A. K.; Vallauri, R. J. Chem. Phys. 1998, 108, 8528-8540.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8528-8540
-
-
Jedlovszky, P.1
Brodholt, J.P.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
Vallauri, R.6
-
171
-
-
0001167054
-
-
Walrafen, G. E.; Yang, W. H.; Chu, Y. C. J. Phys. Chem. B 1999, 103, 1332-1338.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 1332-1338
-
-
Walrafen, G.E.1
Yang, W.H.2
Chu, Y.C.3
-
173
-
-
0011550181
-
-
Kubicki, J. D., Cygan, R. T., Ed.
-
Kalinichev, A. G. In Reviews in Mineralogy and Geochemistry; Kubicki, J. D., Cygan, R. T., Ed., 2001; Vol. 42.
-
(2001)
Reviews in Mineralogy and Geochemistry
, vol.42
-
-
Kalinichev, A.G.1
-
178
-
-
0035424057
-
-
Boero, M.; Terakura, K.; Ikeshoji, T.; Liew, C. C.; Parrinello, M. J. Chem. Phys. 2001, 115, 2219-2227.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2219-2227
-
-
Boero, M.1
Terakura, K.2
Ikeshoji, T.3
Liew, C.C.4
Parrinello, M.5
-
179
-
-
0034662898
-
-
Chialvo, A. A.; Yezdimer, E.; Driesner, T.; Cummings, P. T.; Simonson, J. M. Chem. Phys. 2000, 258, 109-120.
-
(2000)
Chem. Phys.
, vol.258
, pp. 109-120
-
-
Chialvo, A.A.1
Yezdimer, E.2
Driesner, T.3
Cummings, P.T.4
Simonson, J.M.5
-
181
-
-
33748272658
-
-
Mishima, O.; Calvert, L. D.; Whalley, E. Nature 1984, 310, 393-5.
-
(1984)
Nature
, vol.310
, pp. 393-395
-
-
Mishima, O.1
Calvert, L.D.2
Whalley, E.3
-
182
-
-
0022202717
-
-
Mishima, O.; Calvert, L. D.; Whalley, E. Nature 1985, 314, 76-8.
-
(1985)
Nature
, vol.314
, pp. 76-78
-
-
Mishima, O.1
Calvert, L.D.2
Whalley, E.3
-
184
-
-
0001101089
-
-
Sastry, S.; Debenedetti, P. G.; Sciortino, F.; Stanley, H. E. Phys. Rev. E 1996, 53, 6144-6154.
-
(1996)
Phys. Rev. E
, vol.53
, pp. 6144-6154
-
-
Sastry, S.1
Debenedetti, P.G.2
Sciortino, F.3
Stanley, H.E.4
-
185
-
-
0000256814
-
-
Poole, P. H.; Sciortino, F.; Essmann, U.; Stanley, H. E. Nature 1992, 360, 324-328.
-
(1992)
Nature
, vol.360
, pp. 324-328
-
-
Poole, P.H.1
Sciortino, F.2
Essmann, U.3
Stanley, H.E.4
-
186
-
-
0001523624
-
-
Harrington, S.; Zhang, R.; Poole, P. H.; Sciortino, F.; Stanley, H. E. Phys. Rev. Lett. 1997, 78, 2409-2412.
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 2409-2412
-
-
Harrington, S.1
Zhang, R.2
Poole, P.H.3
Sciortino, F.4
Stanley, H.E.5
-
187
-
-
0035945145
-
-
Schwegler, E.; Galli, G.; Gygi, F.; Hood, R. Q. Phys. Rev. Lett. 2001, 8726, 5501, U38-U40.
-
(2001)
Phys. Rev. Lett.
, vol.8726
-
-
Schwegler, E.1
Galli, G.2
Gygi, F.3
Hood, R.Q.4
-
188
-
-
0011549575
-
-
Private communication.
-
Stillinger, F. H. Private communication.
-
-
-
Stillinger, F.H.1
|