-
1
-
-
0141521782
-
Anomalously immobilized water: A new water phase induced by confinement in nanotubes
-
DOI 10.1021/nl0340226
-
Mashl, R. J., Joseph, S., Aluru, N. R. & Jakobsson, E. Anomalously immobilized water: a new water phase induced by confinement in nanotubes. Nano Lett. 3, 589-592 (2003). (Pubitemid 37140620)
-
(2003)
Nano Letters
, vol.3
, Issue.5
, pp. 589-592
-
-
Mashl, R.J.1
Joseph, S.2
Aluru, N.R.3
Jakobsson, E.4
-
2
-
-
33845532639
-
Anomalous behavior of proton zero point motion in water confined in carbon nanotubes
-
Reiter, G. et al. Anomalous behavior of proton zero point motion in water confined in carbon nanotubes. Phys. Rev. Lett. 97, 247801-1-247801-4 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 2478011-2478014
-
-
Reiter, G.1
-
3
-
-
33846798175
-
Water-filled single-wall carbon nanotubes as molecular nanovalves
-
DOI 10.1038/nmat1823, PII NMAT1823
-
Maniwa, Y. et al. Water-filled single-wall carbon nanotubes as molecular nanovalves. Nat. Mater. 6, 135-141 (2007). (Pubitemid 46201630)
-
(2007)
Nature Materials
, vol.6
, Issue.2
, pp. 135-141
-
-
Maniwa, Y.1
Matsuda, K.2
Kyakuno, H.3
Ogasawara, S.4
Hibi, T.5
Kadowaki, H.6
Suzuki, S.7
Achiba, Y.8
Kataura, H.9
-
4
-
-
38349194072
-
Phase diagram of water in carbon nanotubes
-
Takaiwa, D., Hatano, I., Koga, K. & Tanaka, H. Phase diagram of water in carbon nanotubes. Proc. Natl Acad. Sci. USA 105, 39-43 (2008).
-
(2008)
Proc. Natl Acad. Sci. USA
, vol.105
, pp. 39-43
-
-
Takaiwa, D.1
Hatano, I.2
Koga, K.3
Tanaka, H.4
-
5
-
-
0035817917
-
Fluidity of water confined to subnanometre films
-
DOI 10.1038/35092523
-
Raviv, U., Laurat, P. & Klein, J. Fluidity of water confined to subnanometre films. Nature 413, 51-54 (2001). (Pubitemid 32843483)
-
(2001)
Nature
, vol.413
, Issue.6851
, pp. 51-54
-
-
Raviv, U.1
Laurat, P.2
Klein, J.3
-
6
-
-
67649373968
-
Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water
-
Romero-Vargas Castrillón, S., Giovambattista, N., Aksay, I. A. & Debenedetti, P. G. Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water. J. Phys. Chem. B 113, 7973-7976 (2009).
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 7973-7976
-
-
Romero-Vargas Castrillón, S.1
Giovambattista, N.2
Aksay, I.A.3
Debenedetti, P.G.4
-
7
-
-
73349134290
-
Ab initio molecular dynamics study of the hydration of Li, Na and K in a montmorillonite model. Influence of isomorphic substitution
-
Mignon, P., Ugliengo, P., Sodupe, M. & Hernandez, E. R. Ab initio molecular dynamics study of the hydration of Li, Na and K in a montmorillonite model. Influence of isomorphic substitution. Phys. Chem. Chem. Phys. 12, 688-697 (2010).
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 688-697
-
-
Mignon, P.1
Ugliengo, P.2
Sodupe, M.3
Hernandez, E.R.4
-
8
-
-
77956341455
-
Phase transitions in confined water nanofilms
-
Han, S., Choi, M. Y., Kumar, P. & Stanley, H. E. Phase transitions in confined water nanofilms. Nat. Phys. 6, 685-689 (2010).
-
(2010)
Nat. Phys.
, vol.6
, pp. 685-689
-
-
Han, S.1
Choi, M.Y.2
Kumar, P.3
Stanley, H.E.4
-
9
-
-
33748969865
-
Proton transfer 200 years after von grotthuss: Insights from ab initio simulations
-
Marx, D. Proton transfer 200 years after von grotthuss: insights from ab initio simulations. Chem. Phys. Chem. 7, 1848-1870 (2006).
-
(2006)
Chem. Phys. Chem.
, vol.7
, pp. 1848-1870
-
-
Marx, D.1
-
10
-
-
33644989063
-
Computer simulation of proton solvation and transport in aqueous and biomolecular systems
-
Voth, G. A. Computer simulation of proton solvation and transport in aqueous and biomolecular systems. Acc. Chem. Res. 39, 143-150 (2006).
-
(2006)
Acc. Chem. Res.
, vol.39
, pp. 143-150
-
-
Voth, G.A.1
-
11
-
-
77951245193
-
Aqueous basic solutions: Hydroxide solvation, structural diffusion, and comparison to the hydrated proton
-
Marx, D., Chandra, A. & Tuckerman, M. E. Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton. Chem. Rev. 110, 2174-2216 (2010).
-
(2010)
Chem. Rev.
, vol.110
, pp. 2174-2216
-
-
Marx, D.1
Chandra, A.2
Tuckerman, M.E.3
-
12
-
-
84862866331
-
Hopping along hydrogen bonds
-
Vuilleumier, R. & Borgis, D. Hopping along hydrogen bonds. Nat. Chem 4, 432-433 (2012).
-
(2012)
Nat. Chem
, vol.4
, pp. 432-433
-
-
Vuilleumier, R.1
Borgis, D.2
-
13
-
-
33846978121
-
Proton transfer 200 years after von grotthuss: Insights from ab initio simulations
-
Marx, D. Proton transfer 200 years after von grotthuss: insights from ab initio simulations. Chem. Phys. Chem. 8, 209-210 (2007).
-
(2007)
Chem. Phys. Chem.
, vol.8
, pp. 209-210
-
-
Marx, D.1
-
14
-
-
0029775587
-
Ab initio molecular dynamics study of proton transfer in a polyglycine analog of the ion channel gramicidin A
-
Sagnella, D. E., Laasonen, K. & Klein, M. L. Ab initio molecular dynamics study of proton transfer in a polyglycine analog of the ion channel Gramicidin A. Biophys. J 71, 1172-1178 (1996). (Pubitemid 26299756)
-
(1996)
Biophysical Journal
, vol.71
, Issue.3
, pp. 1172-1178
-
-
Sagnella, D.E.1
Laasonen, K.2
Klein, M.L.3
-
15
-
-
17444439064
-
Proton transport through water-filled carbon nanotubes
-
Dellago, C., Naor, M. M. & Hummer, G. Proton transport through water-filled carbon nanotubes. Phys. Rev. Lett. 90, 105902-1-10110592-4 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 1059021-101105924
-
-
Dellago, C.1
Naor, M.M.2
Hummer, G.3
-
16
-
-
0041708189
-
Water alignment and proton conduction inside carbon nanotubes
-
Mann, D. J. & Halls, M. D. Water alignment and proton conduction inside carbon nanotubes. Phys. Rev. Lett. 90, 195503-1-195503-4 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 1955031-1955034
-
-
Mann, D.J.1
Halls, M.D.2
-
17
-
-
4644318486
-
Assigning protonation patterns in water networks in bacteriorhodopsin based on computed IR spectra
-
DOI 10.1002/anie.200453857
-
Rousseau, R., Kleinschmidt, V., Schmitt, U. W. & Marx, D. Assigning protonation patterns in water networks in bacteriorhodopsin based on computed ir spectra. Angew. Chem. Int. Ed. 43, 4804-4807 (2004). (Pubitemid 39278595)
-
(2004)
Angewandte Chemie - International Edition
, vol.43
, Issue.36
, pp. 4804-4807
-
-
Rousseau, R.1
Kleinschmidt, V.2
Schmitt, U.W.3
Marx, D.4
-
18
-
-
33845398351
-
Kinetics and mechanism of proton transport across membrane nanopores
-
Dellago, C. & Hummer, G. Kinetics and mechanism of proton transport across membrane nanopores. Phys. Rev. Lett. 97, 245901-1-245901-4 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 2459011-2459014
-
-
Dellago, C.1
Hummer, G.2
-
20
-
-
77955817610
-
Mechanism of fast proton transport along one-dimensional water chains confined in carbon nanotubes
-
Cao, Z. et al. Mechanism of fast proton transport along one-dimensional water chains confined in carbon nanotubes. J. Am. Chem. Soc. 132, 11395-11397 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 11395-11397
-
-
Cao, Z.1
-
21
-
-
0037379781
-
Voltage-gated proton channels and other proton transfer pathways
-
DeCoursey, T. E. Voltage-gated proton channels and other proton transfer pathways. Physiol. Rev. 83, 475-579 (2003). (Pubitemid 36382892)
-
(2003)
Physiological Reviews
, vol.83
, Issue.2
, pp. 475-579
-
-
Decoursey, T.E.1
-
22
-
-
33749128697
-
Protons @ interfaces: Implications for biological energy conversion
-
DOI 10.1016/j.bbabio.2006.02.015, PII S0005272806000351
-
Mulkidjanian, A. Y., Heberle, J. & Cherepanov, D. A. Protons @ interfaces: implications for biological energy conversion. Biochim Biophys Acta. 1757, 913-930 (2006). (Pubitemid 44467835)
-
(2006)
Biochimica et Biophysica Acta - Bioenergetics
, vol.1757
, Issue.8
, pp. 913-930
-
-
Mulkidjanian, A.Y.1
Heberle, J.2
Cherepanov, D.A.3
-
23
-
-
0038337727
-
Voltage-gated proton channels and other proton transfer pathways
-
DeCoursey, T. E. Voltage-gated proton channels and other proton transfer pathways. Physiol. Rev. 83, 1067 (2003).
-
(2003)
Physiol. Rev.
, vol.83
, pp. 1067
-
-
Decoursey, T.E.1
-
24
-
-
19444380140
-
Voltage-gated proton channels and other proton transfer pathways
-
DeCoursey, T. E. Voltage-gated proton channels and other proton transfer pathways. Physiol. Rev. 84, 1479 (2003).
-
(2003)
Physiol. Rev.
, vol.84
, pp. 1479
-
-
Decoursey, T.E.1
-
25
-
-
7544235790
-
Transport in proton conductors for fuel-cell applications: Simulations, elementary reactions, and phenomenology
-
Kreuer, K.-D., Paddison, S. J., Spohr, E. & Schuster, M. Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology. Chem. Rev. 104, 4637-4678 (2004).
-
(2004)
Chem. Rev.
, vol.104
, pp. 4637-4678
-
-
Kreuer, K.-D.1
Paddison, S.J.2
Spohr, E.3
Schuster, M.4
-
26
-
-
73349108471
-
Proton transport in triflic acid hydrates studied via path integral Cara'Parrinello molecular dynamics
-
Hayes, R. L., Paddison, S. J. & Tuckerman, M. E. Proton transport in triflic acid hydrates studied via path integral Cara'Parrinello molecular dynamics. J. Phys. Chem. B 113, 16574-16589 (2009).
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 16574-16589
-
-
Hayes, R.L.1
Paddison, S.J.2
Tuckerman, M.E.3
-
27
-
-
79959992264
-
Proton transport in triflic acid pentahydrate studied via ab initio path integral molecular dynamics
-
Hayes, R. L., Paddison, S. J. & Tuckerman, M. E. Proton transport in triflic acid pentahydrate studied via ab initio path integral molecular dynamics. J. Phys. Chem. A 115, 6112-6124 (2011).
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 6112-6124
-
-
Hayes, R.L.1
Paddison, S.J.2
Tuckerman, M.E.3
-
28
-
-
0036197879
-
Molecular dynamics simulation of proton transport near the surface of a phospholipid membrane
-
Smondyrev, A. M. & Voth, G. A. Molecular dynamics simulation of proton transport near the surface of a phospholipid membrane. Biophys. J. 82, 1460-1468 (2002). (Pubitemid 34204766)
-
(2002)
Biophysical Journal
, vol.82
, Issue.3
, pp. 1460-1468
-
-
Smondyrev, A.M.1
Voth, G.A.2
-
29
-
-
49349113469
-
Hydronium and hydroxide at the interface between water and hydrophobic media
-
Vácha, R., Horinek, D., Berkowitz, M. L. & Jungwirth, P. Hydronium and hydroxide at the interface between water and hydrophobic media. Phys. Chem. Chem. Phys. 10, 4975-4980 (2008).
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 4975-4980
-
-
Vácha, R.1
Horinek, D.2
Berkowitz, M.L.3
Jungwirth, P.4
-
30
-
-
84862571258
-
Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion
-
Zhang, C. et al. Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion. Proc. Natl Acad. Sci. USA 109, 9744-9749 (2012).
-
(2012)
Proc. Natl Acad. Sci. USA
, vol.109
, pp. 9744-9749
-
-
Zhang, C.1
-
31
-
-
0001186869
-
Synthesis and rietveld crystal structure refinement of mackinawite, tetragonal FeS
-
Lennie, A. R., Redfern, S. A. T., Schofield, P. F. & Vaughan, D. J. Synthesis and rietveld crystal structure refinement of mackinawite, tetragonal FeS. Mineral. Mag. 59, 677-683 (1995).
-
(1995)
Mineral. Mag.
, vol.59
, pp. 677-683
-
-
Lennie, A.R.1
Redfern, S.A.T.2
Schofield, P.F.3
Vaughan, D.J.4
-
32
-
-
84055205322
-
Iron-sulfide-bearing chimneys as potential catalytic energy traps at life's emergence
-
Mielke, R. E. et al. Iron-sulfide-bearing chimneys as potential catalytic energy traps at life's emergence. Astrobiology 11, 933-950 (2011).
-
(2011)
Astrobiology
, vol.11
, pp. 933-950
-
-
Mielke, R.E.1
-
33
-
-
0026444704
-
Groundworks for an evolutionary biochemistry: The iron-sulphur world
-
Wächtershäuser, G. Groundworks for an evolutionary biochemistry: the iron-sulphur world. Prog. Biophys. Mol. Biol. 58, 85-201 (1992).
-
(1992)
Prog. Biophys. Mol. Biol.
, vol.58
, pp. 85-201
-
-
Wächtershäuser, G.1
-
34
-
-
0032584573
-
Peptides by activation of amino acids with CO on (Ni, Fe)S surfaces: Implications for the origin of life
-
Huber, C. & Wächtershäuser, G. Peptides by activation of amino acids with CO on (Ni, Fe)S surfaces: implications for the origin of life. Science 281, 670-672 (1998).
-
(1998)
Science
, vol.281
, pp. 670-672
-
-
Huber, C.1
Wächtershäuser, G.2
-
35
-
-
84864856789
-
Water confined between sheets of mackinawite FeS minerals
-
Wittekindt, C. & Marx, D. Water confined between sheets of mackinawite FeS minerals. J. Chem. Phys. 137, 054710-1-054710-8 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 0547101-0547108
-
-
Wittekindt, C.1
Marx, D.2
-
36
-
-
0033580290
-
The nature of the hydrated excess proton in water
-
Marx, D., Tuckerman, M. E., Hutter, J. & Parrinello, M. The nature of the hydrated excess proton in water. Nature 397, 601-604 (1999).
-
(1999)
Nature
, vol.397
, pp. 601-604
-
-
Marx, D.1
Tuckerman, M.E.2
Hutter, J.3
Parrinello, M.4
-
37
-
-
0000181212
-
Solvated excess protons in water: Quantum effects on the hydration structure
-
Marx, D., Tuckerman, M. E. & Parrinello, M. Solvated excess protons in water: quantum effects on the hydration structure. J. Phys.: Condens. Matter 12, A153-A159 (2000).
-
(2000)
J. Phys.: Condens. Matter
, vol.12
-
-
Marx, D.1
Tuckerman, M.E.2
Parrinello, M.3
-
38
-
-
84856509542
-
Evidence for an anomalous quantum state of protons in nanoconfined water
-
Reiter, G. F. et al. Evidence for an anomalous quantum state of protons in nanoconfined water. Phys. Rev. B 85, 045403-1-045403-5 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 0454031-0454035
-
-
Reiter, G.F.1
-
39
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996). (Pubitemid 126631804)
-
(1996)
Physical Review Letters
, vol.77
, Issue.18
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
40
-
-
4944232881
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 78, 1396-1396 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 1396-1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
41
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892-7895 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892-7895
-
-
Vanderbilt, D.1
-
44
-
-
36449000062
-
Nosé-Hoover chains: The canonical ensemble via continuous dynamics
-
Martyna, G. J., Klein, M. L. & Tuckerman, M. Nosé-Hoover chains: the canonical ensemble via continuous dynamics. J. Chem. Phys. 97, 2635-2643 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2635-2643
-
-
Martyna, G.J.1
Klein, M.L.2
Tuckerman, M.3
|