-
1
-
-
0001326217
-
Advances in electrochemical science and engineering
-
Alkire, R.C., Gerischer, H., Kolb, D.M. and Tobias, C.W., eds, (Wiley-VCH, Weinheim)
-
Gottesfeld, S. and Zawodzinski, T.A. (1997) "Advances in electrochemical science and engineering", In: Alkire, R.C., Gerischer, H., Kolb, D.M. and Tobias, C.W., eds, Polymer Electrolyte Fuel Cells (Wiley-VCH, Weinheim) Vol. 5, pp 195-301.
-
(1997)
Polymer Electrolyte Fuel Cells
, vol.5
, pp. 195-301
-
-
Gottesfeld, S.1
Zawodzinski, T.A.2
-
2
-
-
11144290471
-
-
(European Fuel Cell Forum, Oberrohrdorf, Switzerland)
-
Büchi, F.N., Scherer, G.G., Wokaun, A., eds, (2001) 1st European PEFC Forum, 2-6 July, Lucerne, Switzerland (European Fuel Cell Forum, Oberrohrdorf, Switzerland).
-
(2001)
1st European PEFC Forum, 2-6 July, Lucerne, Switzerland
-
-
Büchi, F.N.1
Scherer, G.G.2
Wokaun, A.3
-
3
-
-
0003795689
-
-
Eisenberg, A., ed, (Reidel Publishing Co., Dordrecht, Holland)
-
Pineri, M. (1987) In: Eisenberg, A., ed, Structure and Properties of Ionomers (Reidel Publishing Co., Dordrecht, Holland).
-
(1987)
Structure and Properties of Ionomers
-
-
Pineri, M.1
-
4
-
-
11144335112
-
-
Topical Workshop Lake Buena Vista, (American Chemical Society, Washington, DC)
-
Eisenberg, A., ed, (1982) Perfluorinated Ionomer Membranes ACS Symposium Series. Topical Workshop Lake Buena Vista, (American Chemical Society, Washington, DC) Vol. 180.
-
(1982)
Perfluorinated Ionomer Membranes ACS Symposium Series
, vol.180
-
-
Eisenberg, A.1
-
5
-
-
0030607287
-
Recent advances in perfluorinated ionomer membranes: Structure, properties and applications
-
Heitner, W.C. (1996) "Recent advances in perfluorinated ionomer membranes: structure, properties and applications", J. Membr, Sci. 120, 1.
-
(1996)
J. Membr, Sci.
, vol.120
, pp. 1
-
-
Heitner, W.C.1
-
6
-
-
0000076214
-
Low-temperature proton transport in clathrates
-
Cappadonia, M., Kornyshev, A.A., Krause, S., Kuznetsov, A.M. and Stimming, U. (1994) "Low-temperature proton transport in clathrates", J. Chem. Phys. 101, 7672.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7672
-
-
Cappadonia, M.1
Kornyshev, A.A.2
Krause, S.3
Kuznetsov, A.M.4
Stimming, U.5
-
7
-
-
0001963793
-
Conductance of Nafion 117 membranes as a function of temperature and water content
-
Cappadonia, M., Erning, J.W., Niaki, S.M.S. and Stimming, U. (1995) "Conductance of Nafion 117 membranes as a function of temperature and water content", Solid State Ionics 77, 65.
-
(1995)
Solid State Ionics
, vol.77
, pp. 65
-
-
Cappadonia, M.1
Erning, J.W.2
Niaki, S.M.S.3
Stimming, U.4
-
8
-
-
0031366058
-
Electrophysical properties of polymer electrolyte membranes: A random network model
-
Eikerling, M., Kornyshev, A.A. and Stimming, U. (1997) "Electrophysical properties of polymer electrolyte membranes: a random network model", J. Phys. Chem. B 101, 10807.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10807
-
-
Eikerling, M.1
Kornyshev, A.A.2
Stimming, U.3
-
9
-
-
0037013361
-
Mechanisms of proton conductance in polymer electrolyte membranes
-
Eikerling, M., Kornyshev, A.A., Kuznetsov, A.M., Ulstrup, J. and Walbran, S. (2001) "Mechanisms of proton conductance in polymer electrolyte membranes", J. Phys. Chem. B 105, 3646.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3646
-
-
Eikerling, M.1
Kornyshev, A.A.2
Kuznetsov, A.M.3
Ulstrup, J.4
Walbran, S.5
-
10
-
-
0035815088
-
Proton transfer in a single pore of a polymer electrolyte membrane
-
Eikerling, M. and Kornyshev, A.A. (2001) "Proton transfer in a single pore of a polymer electrolyte membrane", J. Electroanal. Chem. 502, 1.
-
(2001)
J. Electroanal. Chem.
, vol.502
, pp. 1
-
-
Eikerling, M.1
Kornyshev, A.A.2
-
11
-
-
0002036605
-
Mémoire sur la décomposition de l'eau et des corps qu'elle tien en dissolution à l'aide de l'électricité galvanique
-
von Grotthus, C.J.D. (1806) "Mémoire sur la décomposition de l'eau et des corps qu'elle tien en dissolution à l'aide de l'électricité galvanique", Ann. Chim. LVIII, 54.
-
(1806)
Ann. Chim.
, vol.58
, pp. 54
-
-
Von Grotthus, C.J.D.1
-
12
-
-
0033580290
-
The nature of the hydrated excess proton in water
-
Marx, D., Tuckerman, M.E., Hutter, J. and Parrinello, M. (1999) "The nature of the hydrated excess proton in water", Nature 397, 601.
-
(1999)
Nature
, vol.397
, pp. 601
-
-
Marx, D.1
Tuckerman, M.E.2
Hutter, J.3
Parrinello, M.4
-
13
-
-
0035807648
-
Molecular dynamics simulation of microstructure and molecular mobilities in swollen Nafion membranes
-
Vishynakov, A. and Neimark, A.V. (2001) "Molecular dynamics simulation of microstructure and molecular mobilities in swollen Nafion membranes", J. Phys. Chem. B 105, 9586.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 9586
-
-
Vishynakov, A.1
Neimark, A.V.2
-
14
-
-
0034636510
-
Molecular simulation study of Nafion membrane solvation in water and methanol
-
Vishnyakov, A. and Neimark, A.V. (2000) "Molecular simulation study of Nafion membrane solvation in water and methanol", J. Phys. Chem. B 104, 4471.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4471
-
-
Vishnyakov, A.1
Neimark, A.V.2
-
15
-
-
0035899717
-
Molecular dynamics simulation of Nafion oligomer solvation in equimolar methanol-water mixture
-
Vishynakov, A. and Neimark, A.V. (2001) "Molecular dynamics simulation of Nafion oligomer solvation in equimolar methanol-water mixture", J. Phys. Chem. B 105, 7830.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 7830
-
-
Vishynakov, A.1
Neimark, A.V.2
-
16
-
-
0032777658
-
Modelling a polyelectrolyte system in water to estimate the ion conductivity
-
Ennari, J., Elomaa, M. and Sundholm, F. (1999) "Modelling a polyelectrolyte system in water to estimate the ion conductivity", Polymer 40, 5035.
-
(1999)
Polymer
, vol.40
, pp. 5035
-
-
Ennari, J.1
Elomaa, M.2
Sundholm, F.3
-
17
-
-
84962420417
-
Molecular modeling of trifluoromethanesulfonic acid for solvation theory
-
Paddison, S.J., Pratt, L.R., Zawodzinski, T. and Reagor, D.W. (1998) "Molecular modeling of trifluoromethanesulfonic acid for solvation theory", Fluid Phase Equil. 150-151, 235.
-
(1998)
Fluid Phase Equil.
, vol.150-151
, pp. 235
-
-
Paddison, S.J.1
Pratt, L.R.2
Zawodzinski, T.3
Reagor, D.W.4
-
18
-
-
0032310050
-
Molecular modeling of the pendant chain in Nafion
-
Paddison, S.J. and Zawodzinski, T. Jr, (1998) "Molecular modeling of the pendant chain in Nafion", Solid State Ionics 113-115, 333.
-
(1998)
Solid State Ionics
, vol.113-115
, pp. 333
-
-
Paddison, S.J.1
Zawodzinski Jr., T.2
-
19
-
-
0035963260
-
Variation of the dissociation constant of triflic acid with hydration
-
Paddison, S.J., Pratt, L.R. and Zawodzinski, T.A. Jr. (2001) "Variation of the dissociation constant of triflic acid with hydration", J. Phys. Chem. A 105, 6266.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 6266
-
-
Paddison, S.J.1
Pratt, L.R.2
Zawodzinski Jr., T.A.3
-
20
-
-
0001806805
-
Molecular orbital calculations of proton dissociation and hydration of various acidic moieties for fuel cell polymers
-
Eikerling, M., Paddison, S.J. and Zawodzinski, T.A. Jr. (2002) "Molecular orbital calculations of proton dissociation and hydration of various acidic moieties for fuel cell polymers", J. New Mat. Electr. Sys. 5, 15.
-
(2002)
J. New Mat. Electr. Sys.
, vol.5
, pp. 15
-
-
Eikerling, M.1
Paddison, S.J.2
Zawodzinski Jr., T.A.3
-
21
-
-
0000931429
-
Hydration of the hydronium ion. Ab initio calculations and Monte Carlo simulations
-
Fornili, S.L., Migliore, M. and Palazzo, M.A. (1986) "Hydration of the hydronium ion. Ab initio calculations and Monte Carlo simulations", Chem. Phys. Lett. 125, 419.
-
(1986)
Chem. Phys. Lett.
, vol.125
, pp. 419
-
-
Fornili, S.L.1
Migliore, M.2
Palazzo, M.A.3
-
23
-
-
0033264221
-
Quantum-classical simulation of proton migration in water
-
Zahn, D. and Brickmann, J. (1999) "Quantum-classical simulation of proton migration in water", Isr. J. Chem. 39, 469.
-
(1999)
Isr. J. Chem.
, vol.39
, pp. 469
-
-
Zahn, D.1
Brickmann, J.2
-
24
-
-
0011919337
-
A comparative study of proton migration in water and deuteron transport in heavy water by means of mixed quantum/classical molecular dyanmics simulation
-
Zahn, D. and Brickmann, J. (2000) "A comparative study of proton migration in water and deuteron transport in heavy water by means of mixed quantum/classical molecular dyanmics simulation", Chem. Phys. Lett. 331, 224.
-
(2000)
Chem. Phys. Lett.
, vol.331
, pp. 224
-
-
Zahn, D.1
Brickmann, J.2
-
26
-
-
0000135791
-
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
-
Tuckerman, M., Laasonen, K., Sprik, M. and Parrinello, M. (1995) "Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water", J. Chem. Phys. 103, 150.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 150
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
27
-
-
0031034836
-
On the quantum nature of the shared proton in hydrogen bonds
-
Tuckerman, M., Marx, D., Klein, M. and Parrinello, M. (1997) "On the quantum nature of the shared proton in hydrogen bonds", Science 275, 817.
-
(1997)
Science
, vol.275
, pp. 817
-
-
Tuckerman, M.1
Marx, D.2
Klein, M.3
Parrinello, M.4
-
28
-
-
0031546275
-
Ab initio study of aqueous hydrochloric acid
-
Laasonen, K.E. and Klein, M.L. (1997) "Ab initio study of aqueous hydrochloric acid", J. Phys. Chem. A 101, 98.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 98
-
-
Laasonen, K.E.1
Klein, M.L.2
-
29
-
-
0000181212
-
Solvated excess protons in water: Quantum effects on the hydration structure
-
Marx, D., Tuckerman, M.E. and Parrinello, M. (2000) "Solvated excess protons in water: quantum effects on the hydration structure", J. Phys.: Cond. Matter 12, A153.
-
(2000)
J. Phys.: Cond. Matter
, vol.12
-
-
Marx, D.1
Tuckerman, M.E.2
Parrinello, M.3
-
30
-
-
0035896410
-
Autoionization in liquid water
-
Geissler, P.L., Dellago, C., Chandler, D., Hutter, J. and Parrinello, M. (2001) "Autoionization in liquid water", Science 291, 2121.
-
(2001)
Science
, vol.291
, pp. 2121
-
-
Geissler, P.L.1
Dellago, C.2
Chandler, D.3
Hutter, J.4
Parrinello, M.5
-
31
-
-
5944238344
-
The quantum dynamics of an excess proton in water
-
Lobaugh, J. and Voth, G.A. (1996) "The quantum dynamics of an excess proton in water", J. Chem. Phys. 104, 2056.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2056
-
-
Lobaugh, J.1
Voth, G.A.2
-
32
-
-
0347356002
-
Quantum dynamics of an excess proton in water using and extended empirical valence-bond Hamiltonian
-
Vuilleumier, R. and Borgis, D. (1998) "Quantum dynamics of an excess proton in water using and extended empirical valence-bond Hamiltonian", J. Phys. Chem. B 102, 4261.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 4261
-
-
Vuilleumier, R.1
Borgis, D.2
-
34
-
-
11644271492
-
Multistate empirical valence bond model for proton transport in water
-
Schmitt, U.W. and Voth, G.A. (1998) "Multistate empirical valence bond model for proton transport in water", J. Phys. Chem. B 102, 5547.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 5547
-
-
Schmitt, U.W.1
Voth, G.A.2
-
35
-
-
0347924514
-
Transport and spectroscopy of the hydrated proton: A molecular dynamics study
-
Vuilleumier, R. and Borgis, D. (1999) "Transport and spectroscopy of the hydrated proton: a molecular dynamics study", J. Chem. Phys. 111, 4251.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 4251
-
-
Vuilleumier, R.1
Borgis, D.2
-
36
-
-
0001213767
-
The computer simulation of proton transport in water
-
Schmitt, U.W. and Voth, G.A. (1999) "The computer simulation of proton transport in water", J. Chem. Phys. 111, 9361.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 9361
-
-
Schmitt, U.W.1
Voth, G.A.2
-
37
-
-
0034662848
-
A multi-state empirical valence bond model for acid base chemistry in aqueous solution
-
Cuma, M., Schmitt, U.W. and Voth, G.A. (2000) "A multi-state empirical valence bond model for acid base chemistry in aqueous solution", Chem. Phys. 258, 187.
-
(2000)
Chem. Phys.
, vol.258
, pp. 187
-
-
Cuma, M.1
Schmitt, U.W.2
Voth, G.A.3
-
38
-
-
0002339456
-
The isotope substitution effect on the hydrated proton
-
Schmitt, U.W. and Voth, G.A. (2000) "The isotope substitution effect on the hydrated proton", Chem. Phys. Lett. 329, 36.
-
(2000)
Chem. Phys. Lett.
, vol.329
, pp. 36
-
-
Schmitt, U.W.1
Voth, G.A.2
-
39
-
-
0035827187
-
Proton transport in polarizable water
-
Walbran, S. and Kornyshev, A.A. (2001) "Proton transport in polarizable water", J. Chem. Phys. 114, 10039.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 10039
-
-
Walbran, S.1
Kornyshev, A.A.2
-
40
-
-
0037126465
-
Enhancing proton mobility in polymer electrolyte membranes: Lessons from molecular dynamics simulations
-
Spohr, E., Commer, P. and Kornyshev, A.A. (2002) "Enhancing proton mobility in polymer electrolyte membranes: lessons from molecular dynamics simulations", J. Phys. Chem. B 106, 10560.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 10560
-
-
Spohr, E.1
Commer, P.2
Kornyshev, A.A.3
-
41
-
-
9144240095
-
Dreiding: A generic force field for molecular simulations
-
Mayo, S.L., Olafson, B.D. and Goddard, III, W.A. (1990) "Dreiding: a generic force field for molecular simulations", J. Phys. Chem. 94, 8897.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8897
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard III, W.A.3
-
42
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F., DiNola, A. and Haak, J.R. (1984) "Molecular dynamics with coupling to an external bath", J. Chem. Phys. 81, 3684.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
43
-
-
11144266146
-
-
in press
-
Kornyshev, A.A., Kuznetsov, A.M., Spohr, E. and Ulstrup, J. (2003), J. Phys. Chem. B, in press.
-
(2003)
J. Phys. Chem. B
-
-
Kornyshev, A.A.1
Kuznetsov, A.M.2
Spohr, E.3
Ulstrup, J.4
-
44
-
-
0001385208
-
The morphology in Nafion perfluorinated membrane products, as determined by wide-angle and small-angle x-ray studies
-
Gierke, T.D., Munn, G.E. and Wilson, F.C. (1981) "The morphology in Nafion perfluorinated membrane products, as determined by wide-angle and small-angle x-ray studies", J. Polymer Sci. Part B-Polymer Phys. 19, 1687.
-
(1981)
J. Polymer Sci. Part B-Polymer Phys.
, vol.19
, pp. 1687
-
-
Gierke, T.D.1
Munn, G.E.2
Wilson, F.C.3
-
45
-
-
0025436083
-
Distribution of the micelles in hydrated perfluorinated ionomer membranes from SANS experiments
-
Dreyfus, B., Gebel, G., Aldebert, P., Pineri, M., Escoubes, M. and Thomas, M. (1990) "Distribution of the micelles in hydrated perfluorinated ionomer membranes from SANS experiments", J. Phys. (France) 51, 1341.
-
(1990)
J. Phys. (France)
, vol.51
, pp. 1341
-
-
Dreyfus, B.1
Gebel, G.2
Aldebert, P.3
Pineri, M.4
Escoubes, M.5
Thomas, M.6
-
46
-
-
0031356539
-
Small-angle scattering study of water-swollen perfluorinated inomer membranes
-
Gebel, G. and Lambard, J. (1997) "Small-angle scattering study of water-swollen perfluorinated inomer membranes", Macromolecules 30, 7914.
-
(1997)
Macromolecules
, vol.30
, pp. 7914
-
-
Gebel, G.1
Lambard, J.2
-
47
-
-
0037188037
-
A new insight into Nafion structure
-
Rollet, A.-L., Diat, O. and Gebel, G. (2002) "A new insight into Nafion structure", J. Phys. Chem. B 106, 3033.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 3033
-
-
Rollet, A.-L.1
Diat, O.2
Gebel, G.3
-
48
-
-
0003610530
-
-
Dept of Molecular and Biological Physics, Moscow Institute for Physics and Technology
-
Gordeliy V.I., Technical report, Dept of Molecular and Biological Physics, Moscow Institute for Physics and Technology (2001).
-
(2001)
Technical Report
-
-
Gordeliy, V.I.1
-
49
-
-
11144314033
-
-
Gordeliy V.I., Islamov A., Kornyshev A.A., Mergel J., to be published
-
Gordeliy V.I., Islamov A., Kornyshev A.A., Mergel J., to be published.
-
-
-
-
50
-
-
11144279014
-
-
Commer P., Kornyshev A.A., Spohr E., in preparation
-
Commer P., Kornyshev A.A., Spohr E., in preparation.
-
-
-
|