-
1
-
-
0002300553
-
Hydrogen-bond kinetics in liquid water
-
Luzar A., Chandler D. Hydrogen-bond kinetics in liquid water. Nature 1996, 379:55-57.
-
(1996)
Nature
, vol.379
, pp. 55-57
-
-
Luzar, A.1
Chandler, D.2
-
2
-
-
84859188367
-
Concentration dependence of water self-diffusion coefficients in dilute glycerol-water binary and glycerol-water-sodium chloride ternary solutions and the insights from hydrogen bonds
-
Chen C., Li W.Z., Song Y.C., Weng L.D., Zhang N. Concentration dependence of water self-diffusion coefficients in dilute glycerol-water binary and glycerol-water-sodium chloride ternary solutions and the insights from hydrogen bonds. Mol. Phys. 2011, 110:283-291.
-
(2011)
Mol. Phys.
, vol.110
, pp. 283-291
-
-
Chen, C.1
Li, W.Z.2
Song, Y.C.3
Weng, L.D.4
Zhang, N.5
-
3
-
-
0037171737
-
Molecular segregation observed in a concentrated alcohol-water solution
-
Dixit S., Crain J., Poon W.C.K., Finney J.L., Soper A.K. Molecular segregation observed in a concentrated alcohol-water solution. Nature 2002, 416:829-832.
-
(2002)
Nature
, vol.416
, pp. 829-832
-
-
Dixit, S.1
Crain, J.2
Poon, W.C.K.3
Finney, J.L.4
Soper, A.K.5
-
4
-
-
40949135388
-
Predict the glass transition temperature of glycerol-water binary cryoprotectant by molecular dynamic simulation
-
Li D.-X., Liu B.-L., Liu Y.-s., Chen C.-l. Predict the glass transition temperature of glycerol-water binary cryoprotectant by molecular dynamic simulation. Cryobiology 2008, 56:114-119.
-
(2008)
Cryobiology
, vol.56
, pp. 114-119
-
-
Li, D.-X.1
Liu, B.-L.2
Liu, Y.-S.3
Chen, C.-L.4
-
5
-
-
75749118534
-
Hydrogen bonded network properties in liquid formamide
-
Bako I., Megyes T., Balint S., Chihaia V., Bellissent-Funel M.-C., Krienke H., Kopf A., Suh S.-H. Hydrogen bonded network properties in liquid formamide. J. Chem. Phys. 2010, 132:014506.
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 014506
-
-
Bako, I.1
Megyes, T.2
Balint, S.3
Chihaia, V.4
Bellissent-Funel, M.-C.5
Krienke, H.6
Kopf, A.7
Suh, S.-H.8
-
6
-
-
0001021542
-
Voids and clusters in expanded water
-
Mountain R.D. Voids and clusters in expanded water. J. Chem. Phys. 1999, 110:2109-2115.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2109-2115
-
-
Mountain, R.D.1
-
7
-
-
84862823404
-
Formation of water and glucose clusters by hydrogen bonds in glucose aqueous solutions
-
Chen C., Li W.Z., Song Y.C., Weng L.D., Zhang N. Formation of water and glucose clusters by hydrogen bonds in glucose aqueous solutions. Comput. Theoret. Chem. 2012, 984:85-92.
-
(2012)
Comput. Theoret. Chem.
, vol.984
, pp. 85-92
-
-
Chen, C.1
Li, W.Z.2
Song, Y.C.3
Weng, L.D.4
Zhang, N.5
-
8
-
-
0037103869
-
Percolation of water in aqueous solution and liquid-liquid immiscibility
-
Oleinikova A., Brovchenko I., Geiger A., Guillot B. Percolation of water in aqueous solution and liquid-liquid immiscibility. J. Chem. Phys. 2002, 117:3296-3304.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 3296-3304
-
-
Oleinikova, A.1
Brovchenko, I.2
Geiger, A.3
Guillot, B.4
-
9
-
-
0030860284
-
The effect of pressure on deuterium-hydrogen fractionation in high-temperature water
-
Driesner T. The effect of pressure on deuterium-hydrogen fractionation in high-temperature water. Science 1997, 277:791-794.
-
(1997)
Science
, vol.277
, pp. 791-794
-
-
Driesner, T.1
-
10
-
-
0005417963
-
Clustering of water in polyethylene: a molecular-dynamics simulation
-
Fukuda M. Clustering of water in polyethylene: a molecular-dynamics simulation. J. Chem. Phys. 1998, 109:6476-6485.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6476-6485
-
-
Fukuda, M.1
-
11
-
-
1242293027
-
Improved vitrification solutions based on the predictability of vitrification solution toxicity
-
Fahy G.M., Wowk B., Wu J., Paynter S. Improved vitrification solutions based on the predictability of vitrification solution toxicity. Cryobiology 2004, 48:22-35.
-
(2004)
Cryobiology
, vol.48
, pp. 22-35
-
-
Fahy, G.M.1
Wowk, B.2
Wu, J.3
Paynter, S.4
-
12
-
-
33947291412
-
Viscosity and local liquid structure in dimethyl sulfoxide-water mixtures
-
Schichman S.A., Amey R.L. Viscosity and local liquid structure in dimethyl sulfoxide-water mixtures. J. Phys. Chem. 1971, 75:98-102.
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 98-102
-
-
Schichman, S.A.1
Amey, R.L.2
-
13
-
-
0035943322
-
Characterization of binary solvent mixtures of DMSO with water and other cosolvents
-
Catalán J., Díaz C., García-Blanco F. Characterization of binary solvent mixtures of DMSO with water and other cosolvents. J. Org. Chem. 2001, 66:5846-5852.
-
(2001)
J. Org. Chem.
, vol.66
, pp. 5846-5852
-
-
Catalán, J.1
Díaz, C.2
García-Blanco, F.3
-
14
-
-
77957832733
-
Enhanced pair hydrophobicity in the water-dimethylsulfoxide (DMSO) binary mixture at low DMSO concentrations
-
Banerjee S., Roy S., Bagchi B. Enhanced pair hydrophobicity in the water-dimethylsulfoxide (DMSO) binary mixture at low DMSO concentrations. J. Phys. Chem. B 2010, 114:12875-12882.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 12875-12882
-
-
Banerjee, S.1
Roy, S.2
Bagchi, B.3
-
15
-
-
79952096670
-
Theoretical and computational analysis of static and dynamic anomalies in water-DMSO binary mixture at low DMSO concentrations
-
Roy S., Banerjee S., Biyani N., Jana B., Bagchi B. Theoretical and computational analysis of static and dynamic anomalies in water-DMSO binary mixture at low DMSO concentrations. J. Phys. Chem. B 2010, 115:685-692.
-
(2010)
J. Phys. Chem. B
, vol.115
, pp. 685-692
-
-
Roy, S.1
Banerjee, S.2
Biyani, N.3
Jana, B.4
Bagchi, B.5
-
16
-
-
36449008796
-
A neutron diffraction study of dimethyl sulphoxide-water mixtures
-
Soper A., Luzar A. A neutron diffraction study of dimethyl sulphoxide-water mixtures. J. Chem. Phys. 1992, 97:1320.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1320
-
-
Soper, A.1
Luzar, A.2
-
17
-
-
33751145001
-
Orientation of water molecules around small polar and nonpolar groups in solution: a neutron diffraction and computer simulation study
-
Soper A.K., Luzar A. Orientation of water molecules around small polar and nonpolar groups in solution: a neutron diffraction and computer simulation study. J. Phys. Chem. 1996, 100:1357-1367.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1357-1367
-
-
Soper, A.K.1
Luzar, A.2
-
18
-
-
0000127453
-
Local structural order and molecular associations in water-DMSO mixtures. Molecular dynamics study
-
Vaisman I.I., Berkowitz M.L. Local structural order and molecular associations in water-DMSO mixtures. Molecular dynamics study. J. Am. Chem. Soc. 1992, 114:7889-7896.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 7889-7896
-
-
Vaisman, I.I.1
Berkowitz, M.L.2
-
19
-
-
41849119057
-
Temperature effects on the structure and dynamics of liquid dimethyl sulfoxide: a molecular dynamics study
-
Chalaris M., Marinakis S., Dellis D. Temperature effects on the structure and dynamics of liquid dimethyl sulfoxide: a molecular dynamics study. Fluid Phase Equilibr. 2008, 267:47-60.
-
(2008)
Fluid Phase Equilibr.
, vol.267
, pp. 47-60
-
-
Chalaris, M.1
Marinakis, S.2
Dellis, D.3
-
20
-
-
36449000104
-
Structure and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures by computer simulations
-
Luzar A., Chandler D. Structure and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures by computer simulations. J. Chem. Phys. 1993, 98:8160-8173.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8160-8173
-
-
Luzar, A.1
Chandler, D.2
-
21
-
-
1042304426
-
The concentration effect on the 'hydrophobic' and 'hydrophilic' behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study
-
Mancera R.L., Chalaris M., Samios J. The concentration effect on the 'hydrophobic' and 'hydrophilic' behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study. J. Mol. Liq. 2004, 110:147-153.
-
(2004)
J. Mol. Liq.
, vol.110
, pp. 147-153
-
-
Mancera, R.L.1
Chalaris, M.2
Samios, J.3
-
22
-
-
0035868780
-
Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixture
-
Vishnyakov A., Lyubartsev A.P., Laaksonen A. Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixture. J. Phys. Chem. A 2001, 105:1702-1710.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 1702-1710
-
-
Vishnyakov, A.1
Lyubartsev, A.P.2
Laaksonen, A.3
-
23
-
-
38749086482
-
An investigation of water dynamics in binary mixtures of water and dimethyl sulfoxide†
-
Harpham M.R., Levinger N.E., Ladanyi B.M. An investigation of water dynamics in binary mixtures of water and dimethyl sulfoxide†. J. Phys. Chem. B 2007, 112:283-293.
-
(2007)
J. Phys. Chem. B
, vol.112
, pp. 283-293
-
-
Harpham, M.R.1
Levinger, N.E.2
Ladanyi, B.M.3
-
24
-
-
0012059255
-
Molecular association between water and dimethyl sulfoxide in solution: a molecular dynamics simulation study
-
Borin I.A., Skaf M.S. Molecular association between water and dimethyl sulfoxide in solution: a molecular dynamics simulation study. J. Chem. Phys. 1999, 110:6412-6420.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6412-6420
-
-
Borin, I.A.1
Skaf, M.S.2
-
25
-
-
0000390302
-
Hydrophobic hydration and molecular association in methanol-water mixtures studied by microwave dielectric analysis
-
Sato T., Chiba A., Nozaki R. Hydrophobic hydration and molecular association in methanol-water mixtures studied by microwave dielectric analysis. J. Chem. Phys. 2000, 112:2924-2932.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 2924-2932
-
-
Sato, T.1
Chiba, A.2
Nozaki, R.3
-
26
-
-
0033074425
-
Dynamical aspects of mixing schemes in ethanol-water mixtures in terms of the excess partial molar activation free energy, enthalpy, and entropy of the dielectric relaxation process
-
Sato T., Chiba A., Nozaki R. Dynamical aspects of mixing schemes in ethanol-water mixtures in terms of the excess partial molar activation free energy, enthalpy, and entropy of the dielectric relaxation process. J. Chem. Phys. 1999, 110:2508-2521.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2508-2521
-
-
Sato, T.1
Chiba, A.2
Nozaki, R.3
-
27
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips J.C., Braun R., Wang W., Gumbart J., Tajkhorshid E., Villa E., Chipot C., Skeel R.D., Kalé L., Schulten K. Scalable molecular dynamics with NAMD. J. Comput. Chem. 2005, 26:1781-1802.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kalé, L.9
Schulten, K.10
-
28
-
-
0037075407
-
A flexible all-atom model of dimethyl sulfoxide for molecular dynamics simulations
-
Strader M.L., Feller S.E. A flexible all-atom model of dimethyl sulfoxide for molecular dynamics simulations. J. Phys. Chem. A 2002, 106:1074-1080.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1074-1080
-
-
Strader, M.L.1
Feller, S.E.2
-
30
-
-
36449003554
-
Constant pressure molecular dynamics algorithms
-
Martyna G.J., Tobias D.J., Klein M.L. Constant pressure molecular dynamics algorithms. 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
-
31
-
-
33846823909
-
Particle mesh Ewald: an N{dot operator}log(N) method for Ewald sums in large systems
-
Darden T., York D., Pedersen L. Particle mesh Ewald: an N{dot operator}log(N) method for Ewald sums in large systems. J. Chem. Phys. 1993, 98:10089-10092.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
32
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
-
Ryckaert J.-P., Ciccotti G., Berendsen H.J.C. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comput. Phys. 1977, 23:327-341.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
33
-
-
35948972760
-
Investigations on the structure of dimethyl sulfoxide and acetone in aqueous solution
-
McLain S.E., Luzar A. Investigations on the structure of dimethyl sulfoxide and acetone in aqueous solution. J. Chem. Phys. 2007, 127:174515.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 174515
-
-
McLain, S.E.1
Luzar, A.2
-
34
-
-
0031098262
-
The excluded volume effect in confined fluids and liquid mixtures
-
Soper A.K. The excluded volume effect in confined fluids and liquid mixtures. J. Phys.: Condens. Matter 1997, 9:2399.
-
(1997)
J. Phys.: Condens. Matter
, vol.9
, pp. 2399
-
-
Soper, A.K.1
-
35
-
-
60449119252
-
Polarizable force field for water-dimethyl sulfoxide systems: II properties of mixtures by molecular dynamics simulations
-
Zhang Q., Zhang X., Zhao D.-X. Polarizable force field for water-dimethyl sulfoxide systems: II properties of mixtures by molecular dynamics simulations. J. Mol. Liq. 2009, 145:67-81.
-
(2009)
J. Mol. Liq.
, vol.145
, pp. 67-81
-
-
Zhang, Q.1
Zhang, X.2
Zhao, D.-X.3
-
36
-
-
84861018506
-
Water dynamics in water/DMSO binary mixtures
-
Wong D.B., Sokolowsky K.P., El-Barghouthi M.I., Fenn E.E., Giammanco C.H., Sturlaugson A.L., Fayer M.D. Water dynamics in water/DMSO binary mixtures. J. Phys. Chem. B 2012, 116:5479-5490.
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 5479-5490
-
-
Wong, D.B.1
Sokolowsky, K.P.2
El-Barghouthi, M.I.3
Fenn, E.E.4
Giammanco, C.H.5
Sturlaugson, A.L.6
Fayer, M.D.7
-
37
-
-
36349009202
-
Evaluation of the criteria of hydrogen bonding in highly associated liquids
-
Swiatla-Wojcik D. Evaluation of the criteria of hydrogen bonding in highly associated liquids. Chem. Phys. 2007, 342:260-266.
-
(2007)
Chem. Phys.
, vol.342
, pp. 260-266
-
-
Swiatla-Wojcik, D.1
-
38
-
-
0000341366
-
Molecular dynamics simulation of galanin in aqueous and nonaqueous solution
-
Loof H.D., Nilsson L., Rigler R. Molecular dynamics simulation of galanin in aqueous and nonaqueous solution. J. Am. Chem. Soc. 1992, 114:4028-4035.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4028-4035
-
-
Loof, H.D.1
Nilsson, L.2
Rigler, R.3
-
39
-
-
4243422452
-
Effect of environment on hydrogen bond dynamics in liquid water
-
Luzar A., Chandler D. Effect of environment on hydrogen bond dynamics in liquid water. Phys. Rev. Lett. 1996, 76:928.
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 928
-
-
Luzar, A.1
Chandler, D.2
-
40
-
-
17444426103
-
Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field†
-
Noskov S.Y., Lamoureux G., Roux B. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field†. J. Phys. Chem. B 2005, 109:6705-6713.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6705-6713
-
-
Noskov, S.Y.1
Lamoureux, G.2
Roux, B.3
-
41
-
-
62649127467
-
Hydrogen bonding analysis of glycerol aqueous solutions: a molecular dynamics simulation study
-
Chen C., Li W.Z., Song Y.C., Yang J. Hydrogen bonding analysis of glycerol aqueous solutions: a molecular dynamics simulation study. J. Mol. Liq. 2009, 146:23-28.
-
(2009)
J. Mol. Liq.
, vol.146
, pp. 23-28
-
-
Chen, C.1
Li, W.Z.2
Song, Y.C.3
Yang, J.4
-
42
-
-
70350735965
-
A molecular dynamics study of cryoprotective agent - water-sodium chloride ternary solutions
-
Chen C., Li W.Z., Song Y.C., Yang J. A molecular dynamics study of cryoprotective agent - water-sodium chloride ternary solutions. J. Mol. Struct-theochem 2009, 916:37-46.
-
(2009)
J. Mol. Struct-theochem
, vol.916
, pp. 37-46
-
-
Chen, C.1
Li, W.Z.2
Song, Y.C.3
Yang, J.4
-
43
-
-
33748907734
-
Concentration effects in aqueous NaCl solutions. A molecular dynamics simulation
-
Lyubartsev A.P., Laaksonen A. Concentration effects in aqueous NaCl solutions. A molecular dynamics simulation. J. Phys. Chem. 1996, 100:16410-16418.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16410-16418
-
-
Lyubartsev, A.P.1
Laaksonen, A.2
-
44
-
-
34547420709
-
Percolation transition in supercritical water: a Monte Carlo simulation study
-
Jedlovszky P., Brovchenko I., Oleinikova A. Percolation transition in supercritical water: a Monte Carlo simulation study. J. Phys. Chem. B 2007, 111:7603-7609.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 7603-7609
-
-
Jedlovszky, P.1
Brovchenko, I.2
Oleinikova, A.3
-
45
-
-
79958783179
-
Anomalous behavior of linear hydrocarbon chains in water-DMSO binary mixture at low DMSO concentration
-
Ghosh R., Banerjee S., Chakrabarty S., Bagchi B. Anomalous behavior of linear hydrocarbon chains in water-DMSO binary mixture at low DMSO concentration. J. Phys. Chem. B 2011, 115:7612-7620.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 7612-7620
-
-
Ghosh, R.1
Banerjee, S.2
Chakrabarty, S.3
Bagchi, B.4
-
46
-
-
0042992442
-
Nuclear spin relaxation and self-diffusion in the binary system, dimethylsulphoxide (DMSO)+water
-
Packer K.J., Tomlinson D.J. Nuclear spin relaxation and self-diffusion in the binary system, dimethylsulphoxide (DMSO)+water. Trans. Faraday Soc. 1971, 67:1302-1314.
-
(1971)
Trans. Faraday Soc.
, vol.67
, pp. 1302-1314
-
-
Packer, K.J.1
Tomlinson, D.J.2
-
47
-
-
84870369242
-
Molecular insight into the hydrogen bonding and micro-segregation of a cryoprotectant molecule
-
Towey J.J., Soper A.K., Dougan L. Molecular insight into the hydrogen bonding and micro-segregation of a cryoprotectant molecule. J. Phys. Chem. B 2012, 116:13898-13904.
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 13898-13904
-
-
Towey, J.J.1
Soper, A.K.2
Dougan, L.3
-
48
-
-
84880067268
-
Molecular dynamics study on water self-diffusion in aqueous mixtures of methanol, ethylene glycol and glycerol: investigations from the point of view of hydrogen bonding
-
Zhang N., Li W., Chen C., Zuo J., Weng L. Molecular dynamics study on water self-diffusion in aqueous mixtures of methanol, ethylene glycol and glycerol: investigations from the point of view of hydrogen bonding. Mol. Phys. 2013, 1-11.
-
(2013)
Mol. Phys.
, pp. 1-11
-
-
Zhang, N.1
Li, W.2
Chen, C.3
Zuo, J.4
Weng, L.5
-
49
-
-
0001643424
-
Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water
-
Borin I.A., Skaf M.S. Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water. Chem. Phys. Lett. 1998, 296:125-130.
-
(1998)
Chem. Phys. Lett.
, vol.296
, pp. 125-130
-
-
Borin, I.A.1
Skaf, M.S.2
-
50
-
-
67649515630
-
The impact of polyols on water structure in solution: a computational study†
-
Politi R., Sapir L., Harries D. The impact of polyols on water structure in solution: a computational study†. J. Phys. Chem. A 2009, 113:7548-7555.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7548-7555
-
-
Politi, R.1
Sapir, L.2
Harries, D.3
|