-
1
-
-
0033761347
-
Structure of a Glycerol-Conducting Channel and the Basis for Its Selectivity
-
Fu, D.; Libson, A.; Miercke, L. J. W.; Weitzman, C.; Nollert, P.; Krucinski, J.; Stroud, R. M. Structure of a Glycerol-Conducting Channel and the Basis for Its Selectivity Science 2000, 290, 481-486
-
(2000)
Science
, vol.290
, pp. 481-486
-
-
Fu, D.1
Libson, A.2
Miercke, L.J.W.3
Weitzman, C.4
Nollert, P.5
Krucinski, J.6
Stroud, R.M.7
-
2
-
-
0034609808
-
Structural Determinants of Water Permeation through Aquaporin-1
-
Murata, K.; Mitsuoka, K.; Hirai, T.; Walz, T.; Agre, P.; Heymann, J. B.; Engel, A.; Fujiyoshi, Y. Structural Determinants of Water Permeation through Aquaporin-1 Nature 2000, 407, 599-605
-
(2000)
Nature
, vol.407
, pp. 599-605
-
-
Murata, K.1
Mitsuoka, K.2
Hirai, T.3
Walz, T.4
Agre, P.5
Heymann, J.B.6
Engel, A.7
Fujiyoshi, Y.8
-
3
-
-
0035861454
-
Water Permeation across Biological Membranes: Mechanism and Dynamics of Aquaporin-1 and GlpF
-
de Groot, B. L.; Grubmüller, H. Water Permeation across Biological Membranes: Mechanism and Dynamics of Aquaporin-1 and GlpF Science 2001, 294, 2353-2357
-
(2001)
Science
, vol.294
, pp. 2353-2357
-
-
De Groot, B.L.1
Grubmüller, H.2
-
4
-
-
0035924329
-
Structural Basis of Water-Specific Transport through the AQP1 Water Channel
-
Sui, H.; Han, B.-G.; Lee, J. K.; Walian, P.; Jap, B. K. Structural Basis of Water-Specific Transport through the AQP1 Water Channel Nature 2001, 414, 872-878
-
(2001)
Nature
, vol.414
, pp. 872-878
-
-
Sui, H.1
Han, B.-G.2
Lee, J.K.3
Walian, P.4
Jap, B.K.5
-
5
-
-
0038472282
-
Liquid-Vapor Oscillations of Water in Hydrophobic Nanopores
-
Beckstein, O.; Sansom, M. S. P. Liquid-Vapor Oscillations of Water in Hydrophobic Nanopores Proc. Natl. Acad. Sci. U. S. A. 2003, 100, 7063-7068
-
(2003)
Proc. Natl. Acad. Sci. U. S. A.
, vol.100
, pp. 7063-7068
-
-
Beckstein, O.1
Sansom, M.S.P.2
-
6
-
-
0242269040
-
Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels
-
Jensen, M. Ø.; Tajkhorshid, E.; Schulten, K. Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels Biophys. J. 2003, 85, 2884-2899
-
(2003)
Biophys. J.
, vol.85
, pp. 2884-2899
-
-
Jensen M.Ø1
Tajkhorshid, E.2
Schulten, K.3
-
7
-
-
27744446445
-
Nanoscale Hydrodynamics: Enhanced Flow in Carbon Nanotubes
-
Majumder, M.; Chopra, N.; Andrews, R.; Hinds, B. J. Nanoscale Hydrodynamics: Enhanced Flow in Carbon Nanotubes Nature 2005, 438, 44-44
-
(2005)
Nature
, vol.438
, pp. 44-44
-
-
Majumder, M.1
Chopra, N.2
Andrews, R.3
Hinds, B.J.4
-
8
-
-
34247281978
-
Electrostatic Gating of a Nanometer Water Channel
-
Li, J.; Gong, X.; Lu, H.; Li, D.; Fang, H.; Zhou, R. Electrostatic Gating of a Nanometer Water Channel Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 3687-3692
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 3687-3692
-
-
Li, J.1
Gong, X.2
Lu, H.3
Li, D.4
Fang, H.5
Zhou, R.6
-
9
-
-
0034671701
-
Creating Long-Lived Superhydrophobic Polymer Surfaces through Mechanically Assembled Monolayers
-
Genzer, J.; Efimenko, K. Creating Long-Lived Superhydrophobic Polymer Surfaces through Mechanically Assembled Monolayers Science 2000, 290, 2130-2133
-
(2000)
Science
, vol.290
, pp. 2130-2133
-
-
Genzer, J.1
Efimenko, K.2
-
10
-
-
0037470416
-
Transformation of a Simple Plastic into a Superhydrophobic Surface
-
Erbil, H. Y.; Demirel, A. L.; Avci, Y.; Mert, O. Transformation of a Simple Plastic into a Superhydrophobic Surface Science 2003, 299, 1377-1380
-
(2003)
Science
, vol.299
, pp. 1377-1380
-
-
Erbil, H.Y.1
Demirel, A.L.2
Avci, Y.3
Mert, O.4
-
11
-
-
0041764362
-
Superhydrophobic States
-
Lafuma, A.; Quere, D. Superhydrophobic States Nat. Mater. 2003, 2, 457-460
-
(2003)
Nat. Mater.
, vol.2
, pp. 457-460
-
-
Lafuma, A.1
Quere, D.2
-
12
-
-
0029292717
-
Nanotribology: Friction, Wear and Lubrication at the Atomic Scale
-
Bhushan, B.; Israelachvili, J. N.; Landman, U. Nanotribology: Friction, Wear and Lubrication at the Atomic Scale Nature 1995, 374, 607-616
-
(1995)
Nature
, vol.374
, pp. 607-616
-
-
Bhushan, B.1
Israelachvili, J.N.2
Landman, U.3
-
13
-
-
18044403655
-
Viscosity of Interfacial Water
-
Zhu, Y.; Granick, S. Viscosity of Interfacial Water Phys. Rev. Lett. 2001, 87, 096104
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 096104
-
-
Zhu, Y.1
Granick, S.2
-
14
-
-
0037078448
-
Viscosity of Ultra-Thin Water Films Confined between Hydrophobic or Hydrophilic Surfaces
-
Uri, R.; Suzanne, G.; Joseph, F.; Jacob, K. Viscosity of Ultra-Thin Water Films Confined between Hydrophobic or Hydrophilic Surfaces J. Phys. Condens. Mater. 2002, 14, 9275
-
(2002)
J. Phys. Condens. Mater.
, vol.14
, pp. 9275
-
-
Uri, R.1
Suzanne, G.2
Joseph, F.3
Jacob, K.4
-
15
-
-
0037140054
-
Friction of Thin Water Films: A Nanotribological Study
-
Opitz, A.; Ahmed, S. I. U.; Schaefer, J. A.; Scherge, M. Friction of Thin Water Films: A Nanotribological Study Surf. Sci. 2002, 504, 199-207
-
(2002)
Surf. Sci.
, vol.504
, pp. 199-207
-
-
Opitz, A.1
Ahmed, S.I.U.2
Schaefer, J.A.3
Scherge, M.4
-
16
-
-
0035958744
-
Taking a Walk on a Landscape
-
Brooks, C. L.; Onuchic, J. N.; Wales, D. J. Taking a Walk on a Landscape Science 2001, 293, 612-613
-
(2001)
Science
, vol.293
, pp. 612-613
-
-
Brooks, C.L.1
Onuchic, J.N.2
Wales, D.J.3
-
17
-
-
4644236471
-
Hydrophobic Collapse in Multidomain Protein Folding
-
Zhou, R.; Huang, X.; Margulis, C. J.; Berne, B. J. Hydrophobic Collapse in Multidomain Protein Folding Science 2004, 305, 1605-1609
-
(2004)
Science
, vol.305
, pp. 1605-1609
-
-
Zhou, R.1
Huang, X.2
Margulis, C.J.3
Berne, B.J.4
-
18
-
-
24344448662
-
Observation of a Dewetting Transition in the Collapse of the Melittin Tetramer
-
Liu, P.; Huang, X.; Zhou, R.; Berne, B. J. Observation of a Dewetting Transition in the Collapse of the Melittin Tetramer Nature 2005, 437, 159-162
-
(2005)
Nature
, vol.437
, pp. 159-162
-
-
Liu, P.1
Huang, X.2
Zhou, R.3
Berne, B.J.4
-
19
-
-
40649084349
-
Hydrophobicity of Protein Surfaces: Separating Geometry from Chemistry
-
Giovambattista, N.; Lopez, C. F.; Rossky, P. J.; Debenedetti, P. G. Hydrophobicity of Protein Surfaces: Separating Geometry from Chemistry Proc. Natl. Acad. Sci. U. S. A. 2008, 105, 2274-2279
-
(2008)
Proc. Natl. Acad. Sci. U. S. A.
, vol.105
, pp. 2274-2279
-
-
Giovambattista, N.1
Lopez, C.F.2
Rossky, P.J.3
Debenedetti, P.G.4
-
20
-
-
67449084506
-
Dewetting and Hydrophobic Interaction in Physical and Biological Systems
-
Berne, B. J.; Weeks, J. D.; Zhou, R. Dewetting and Hydrophobic Interaction in Physical and Biological Systems Annu. Rev. Phys. Chem. 2009, 60, 85-103
-
(2009)
Annu. Rev. Phys. Chem.
, vol.60
, pp. 85-103
-
-
Berne, B.J.1
Weeks, J.D.2
Zhou, R.3
-
21
-
-
0001572789
-
Freezing of Confined Water: A Bilayer Ice Phase in Hydrophobic Nanopores
-
Koga, K.; Zeng, X. C.; Tanaka, H. Freezing of Confined Water: A Bilayer Ice Phase in Hydrophobic Nanopores Phys. Rev. Lett. 1997, 79, 5262-5265
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 5262-5265
-
-
Koga, K.1
Zeng, X.C.2
Tanaka, H.3
-
22
-
-
0034735786
-
First-Order Transition in Confined Water between High-Density Liquid and Low-Density Amorphous Phases
-
Koga, K.; Tanaka, H.; Zeng, X. C. First-Order Transition in Confined Water between High-Density Liquid and Low-Density Amorphous Phases Nature 2000, 408, 564-567
-
(2000)
Nature
, vol.408
, pp. 564-567
-
-
Koga, K.1
Tanaka, H.2
Zeng, X.C.3
-
23
-
-
0041903852
-
Bilayer Ice and Alternate Liquid Phases of Confined Water
-
Zangi, R.; Mark, A. E. Bilayer Ice and Alternate Liquid Phases of Confined Water J. Chem. Phys. 2003, 119, 1694-1700
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 1694-1700
-
-
Zangi, R.1
Mark, A.E.2
-
25
-
-
28844432645
-
Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates
-
Kumar, P.; Buldyrev, S. V.; Starr, F. W.; Giovambattista, N.; Stanley, H. E. Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates Phys. Rev. E 2005, 72, 051503
-
(2005)
Phys. Rev. e
, vol.72
, pp. 051503
-
-
Kumar, P.1
Buldyrev, S.V.2
Starr, F.W.3
Giovambattista, N.4
Stanley, H.E.5
-
26
-
-
33645824972
-
Effect of Pressure on the Phase Behavior and Structure of Water Confined between Nanoscale Hydrophobic and Hydrophilic Plates
-
Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Effect of Pressure on the Phase Behavior and Structure of Water Confined between Nanoscale Hydrophobic and Hydrophilic Plates Phys. Rev. E 2006, 73, 041604
-
(2006)
Phys. Rev. e
, vol.73
, pp. 041604
-
-
Giovambattista, N.1
Rossky, P.J.2
Debenedetti, P.G.3
-
27
-
-
58049204384
-
Interplay of Local Hydrogen-Bonding and Long-Ranged Dipolar Forces in Simulations of Confined Water
-
Rodgers, J. M.; Weeks, J. D. Interplay of Local Hydrogen-Bonding and Long-Ranged Dipolar Forces in Simulations of Confined Water Proc. Natl. Acad. Sci. U. S. A. 2008, 105, 19136-19141
-
(2008)
Proc. Natl. Acad. Sci. U. S. A.
, vol.105
, pp. 19136-19141
-
-
Rodgers, J.M.1
Weeks, J.D.2
-
28
-
-
70350091577
-
Effect of Temperature on the Structure and Phase Behavior of Water Confined by Hydrophobic, Hydrophilic, and Heterogeneous Surfaces
-
Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Effect of Temperature on the Structure and Phase Behavior of Water Confined by Hydrophobic, Hydrophilic, and Heterogeneous Surfaces J. Phys. Chem. B 2009, 113, 13723-13734
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 13723-13734
-
-
Giovambattista, N.1
Rossky, P.J.2
Debenedetti, P.G.3
-
29
-
-
61549086250
-
Phase Transitions Induced by Nanoconfinement in Liquid Water
-
Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Phase Transitions Induced by Nanoconfinement in Liquid Water Phys. Rev. Lett. 2009, 102, 050603
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 050603
-
-
Giovambattista, N.1
Rossky, P.J.2
Debenedetti, P.G.3
-
30
-
-
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. 2010, 6, 685-689
-
(2010)
Nat. Phys.
, vol.6
, pp. 685-689
-
-
Han, S.1
Choi, M.Y.2
Kumar, P.3
Stanley, H.E.4
-
31
-
-
33846268357
-
Evidence of the Existence of the Low-Density Liquid Phase in Supercooled, Confined Water
-
Mallamace, F.; Broccio, M.; Corsaro, C.; Faraone, A.; Majolino, D.; Venuti, V.; Liu, L.; Mou, C.-Y.; Chen, S.-H. Evidence of the Existence of the Low-Density Liquid Phase in Supercooled, Confined Water Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 424-428
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 424-428
-
-
Mallamace, F.1
Broccio, M.2
Corsaro, C.3
Faraone, A.4
Majolino, D.5
Venuti, V.6
Liu, L.7
Mou, C.-Y.8
Chen, S.-H.9
-
32
-
-
69849113628
-
No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene
-
Kimmel, G. A.; Matthiesen, J.; Baer, M.; Mundy, C. J.; Petrik, N. G.; Smith, R. S.; Dohnálek, Z.; Kay, B. D. No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene J. Am. Chem. Soc. 2009, 131, 12838-12844
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 12838-12844
-
-
Kimmel, G.A.1
Matthiesen, J.2
Baer, M.3
Mundy, C.J.4
Petrik, N.G.5
Smith, R.S.6
Dohnálek, Z.7
Kay, B.D.8
-
33
-
-
63149100398
-
Ordered Water Structure at Hydrophobic Graphite Interfaces Observed by 4D, Ultrafast Electron Crystallography
-
Yang, D.-S.; Zewail, A. H. Ordered Water Structure at Hydrophobic Graphite Interfaces Observed by 4D, Ultrafast Electron Crystallography Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 4122-4126
-
(2009)
Proc. Natl. Acad. Sci. U. S. A.
, vol.106
, pp. 4122-4126
-
-
Yang, D.-S.1
Zewail, A.H.2
-
34
-
-
84856407337
-
Structure of Ice Crystallized from Supercooled Water
-
Malkin, T. L.; Murray, B. J.; Brukhno, A. V.; Anwar, J.; Salzmann, C. G. Structure of Ice Crystallized from Supercooled Water Proc. Natl. Acad. Sci. U. S. A. 2012, 109, 1041-1045
-
(2012)
Proc. Natl. Acad. Sci. U. S. A.
, vol.109
, pp. 1041-1045
-
-
Malkin, T.L.1
Murray, B.J.2
Brukhno, A.V.3
Anwar, J.4
Salzmann, C.G.5
-
35
-
-
8344280383
-
Electric Field and Temperature Effects on Water in the Narrow Nonpolar Pores of Carbon Nanotubes
-
Vaitheeswaran, S.; Rasaiah, J. C.; Hummer, G. Electric Field and Temperature Effects on Water in the Narrow Nonpolar Pores of Carbon Nanotubes J. Chem. Phys. 2004, 121, 7955-7965
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 7955-7965
-
-
Vaitheeswaran, S.1
Rasaiah, J.C.2
Hummer, G.3
-
36
-
-
1842682281
-
Electric Field-Controlled Water Permeation Coupled to Ion Transport through a Nanopore
-
Dzubiella, J.; Allen, R. J.; Hansen, J. P. Electric Field-Controlled Water Permeation Coupled to Ion Transport through a Nanopore J. Chem. Phys. 2004, 120, 5001-5004
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 5001-5004
-
-
Dzubiella, J.1
Allen, R.J.2
Hansen, J.P.3
-
37
-
-
33847626623
-
Effect of Field Direction on Electrowetting in a Nanopore
-
Bratko, D.; Daub, C. D.; Leung, K.; Luzar, A. Effect of Field Direction on Electrowetting in a Nanopore J. Am. Chem. Soc. 2007, 129, 2504-2510
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 2504-2510
-
-
Bratko, D.1
Daub, C.D.2
Leung, K.3
Luzar, A.4
-
38
-
-
56349086463
-
Field-Exposed Water in a Nanopore: Liquid or Vapour?
-
Bratko, D.; Daub, C. D.; Luzar, A. Field-Exposed Water in a Nanopore: Liquid or Vapour? Phys. Chem. Chem. Phys. 2008, 10, 6807-6813
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 6807-6813
-
-
Bratko, D.1
Daub, C.D.2
Luzar, A.3
-
39
-
-
2342524696
-
Electrofreezing of Confined Water
-
Zangi, R.; Mark, A. E. Electrofreezing of Confined Water J. Chem. Phys. 2004, 120, 7123-7130
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7123-7130
-
-
Zangi, R.1
Mark, A.E.2
-
40
-
-
27144544061
-
Freezing Transition of Interfacial Water at Room Temperature under Electric Fields
-
Choi, E.-M.; Yoon, Y.-H.; Lee, S.; Kang, H. Freezing Transition of Interfacial Water at Room Temperature under Electric Fields Phys. Rev. Lett. 2005, 95, 085701
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 085701
-
-
Choi, E.-M.1
Yoon, Y.-H.2
Lee, S.3
Kang, H.4
-
41
-
-
17444396351
-
Water between Plates in the Presence of an Electric Field in an Open System
-
Vaitheeswaran, S.; Yin, H.; Rasaiah, J. C. Water between Plates in the Presence of an Electric Field in an Open System J. Phys. Chem. B 2005, 109, 6629-6635
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6629-6635
-
-
Vaitheeswaran, S.1
Yin, H.2
Rasaiah, J.C.3
-
42
-
-
84877322781
-
Electromelting of Confined Monolayer Ice
-
Qiu, H.; Guo, W. Electromelting of Confined Monolayer Ice Phys. Rev. Lett. 2013, 110, 195701
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 195701
-
-
Qiu, H.1
Guo, W.2
-
43
-
-
84861536803
-
Ab Initio Molecular Dynamics Study of Dissociation of Water under an Electric Field
-
Saitta, A. M.; Saija, F.; Giaquinta, P. V. Ab Initio Molecular Dynamics Study of Dissociation of Water under an Electric Field Phys. Rev. Lett. 2012, 108, 207801
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 207801
-
-
Saitta, A.M.1
Saija, F.2
Giaquinta, P.V.3
-
44
-
-
0035789518
-
GROMACS 3.0: A Package for Molecular Simulation and Trajectory Analysis
-
Lindahl, E.; Hess, B.; van der Spoel, D. GROMACS 3.0: A Package for Molecular Simulation and Trajectory Analysis J. Mol. Model. 2001, 7, 306-317
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
45
-
-
84866910978
-
Dynamics of Two-Dimensional Monolayer Water Confined in Hydrophobic and Charged Environments
-
Kumar, P.; Han, S. Dynamics of Two-Dimensional Monolayer Water Confined in Hydrophobic and Charged Environments J. Chem. Phys. 2012, 137, 114510
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 114510
-
-
Kumar, P.1
Han, S.2
-
46
-
-
0000020246
-
A Five-Site Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid, Nonpolarizable Potential Functions
-
Mahoney, M. W.; Jorgensen, W. L. A Five-Site Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid, Nonpolarizable Potential Functions J. Chem. Phys. 2000, 112, 8910-8922
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 8910-8922
-
-
Mahoney, M.W.1
Jorgensen, W.L.2
-
47
-
-
0000116042
-
Phase Equilibria in Extended Simple Point Charge Ice-Water Systems
-
Baez, L. A.; Clancy, P. Phase Equilibria in Extended Simple Point Charge Ice-Water Systems J. Chem. Phys. 1995, 103, 9744-9755
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 9744-9755
-
-
Baez, L.A.1
Clancy, P.2
-
48
-
-
0037071343
-
Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water
-
Yamada, M.; Mossa, S.; Stanley, H. E.; Sciortino, F. Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water Phys. Rev. Lett. 2002, 88, 195701
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 195701
-
-
Yamada, M.1
Mossa, S.2
Stanley, H.E.3
Sciortino, F.4
-
49
-
-
33645961739
-
A Smooth Particle Mesh Ewald Method
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A Smooth Particle Mesh Ewald Method J. Chem. Phys. 1995, 103, 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
50
-
-
0035829539
-
Water Conduction through the Hydrophobic Channel of a Carbon Nanotube
-
Hummer, G.; Rasaiah, J. C.; Noworyta, J. P. Water Conduction through the Hydrophobic Channel of a Carbon Nanotube Nature 2001, 414, 188-190
-
(2001)
Nature
, vol.414
, pp. 188-190
-
-
Hummer, G.1
Rasaiah, J.C.2
Noworyta, J.P.3
-
51
-
-
84943502952
-
A Molecular Dynamics Method for Simulations in the Canonical Ensemble
-
Nosé, S. A Molecular Dynamics Method for Simulations in the Canonical Ensemble Mol. Phys. 1984, 52, 255-268
-
(1984)
Mol. Phys.
, vol.52
, pp. 255-268
-
-
Nosé, S.1
-
52
-
-
0001538909
-
Canonical Dynamics: Equilibrium Phase-Space Distributions
-
Hoover, W. G. Canonical Dynamics: Equilibrium Phase-Space Distributions Phys. Rev. A 1985, 31, 1695-1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
53
-
-
0019707626
-
Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
-
Parrinello, M.; Rahman, A. Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
54
-
-
84926811618
-
Constant Pressure Molecular Dynamics for Molecular Systems
-
Nosé, S.; Klein, M. L. Constant Pressure Molecular Dynamics for Molecular Systems Mol. Phys. 1983, 50, 1055-1076
-
(1983)
Mol. Phys.
, vol.50
, pp. 1055-1076
-
-
Nosé, S.1
Klein, M.L.2
-
55
-
-
84986440341
-
Settle: An Analytical Version of the SHAKE and RATTLE Algorithm for Rigid Water Models
-
Miyamoto, S.; Kollman, P. A. Settle: An Analytical Version of the SHAKE and RATTLE Algorithm for Rigid Water Models J. Comput. Chem. 1992, 13, 952-962
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
56
-
-
0000388705
-
LINCS: A Linear Constraint Solver for Molecular Simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. LINCS: A Linear Constraint Solver for Molecular Simulations J. Comput. Chem. 1997, 18, 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
57
-
-
80054929124
-
Heterogeneous Ice Nucleation Induced by Electric Fields
-
Yan, J. Y.; Patey, G. N. Heterogeneous Ice Nucleation Induced by Electric Fields J. Phys. Chem. Lett. 2011, 2, 2555-2559
-
(2011)
J. Phys. Chem. Lett.
, vol.2
, pp. 2555-2559
-
-
Yan, J.Y.1
Patey, G.N.2
-
58
-
-
84863611059
-
Molecular Dynamics Simulations of Ice Nucleation by Electric Fields
-
Yan, J. Y.; Patey, G. N. Molecular Dynamics Simulations of Ice Nucleation by Electric Fields J. Phys. Chem. A 2012, 116, 7057-7064
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 7057-7064
-
-
Yan, J.Y.1
Patey, G.N.2
-
59
-
-
84903362235
-
Ice Nucleation by Electric Surface Fields of Varying Range and Geometry
-
Yan, J. Y.; Patey, G. N. Ice Nucleation by Electric Surface Fields of Varying Range and Geometry J. Chem. Phys. 2013, 139, 144501
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 144501
-
-
Yan, J.Y.1
Patey, G.N.2
-
60
-
-
84871835146
-
Polymorphism and Polyamorphism in Bilayer Water Confined to Slit Nanopore under High Pressure
-
Bai, J.; Zeng, X. C. Polymorphism and Polyamorphism in Bilayer Water Confined to Slit Nanopore under High Pressure Proc. Natl. Acad. Sci. U. S. A. 2012, 109, 21240-21245
-
(2012)
Proc. Natl. Acad. Sci. U. S. A.
, vol.109
, pp. 21240-21245
-
-
Bai, J.1
Zeng, X.C.2
-
62
-
-
62149119829
-
Dynamic Order-Disorder in Atomistic Models of Structural Glass Formers
-
Hedges, L. O.; Jack, R. L.; Garrahan, J. P.; Chandler, D. Dynamic Order-Disorder in Atomistic Models of Structural Glass Formers Science 2009, 323, 1309-1313
-
(2009)
Science
, vol.323
, pp. 1309-1313
-
-
Hedges, L.O.1
Jack, R.L.2
Garrahan, J.P.3
Chandler, D.4
-
63
-
-
77950532163
-
Guest-Free Monolayer Clathrate and Its Coexistence with Two-Dimensional High-Density Ice
-
Bai, J.; Angell, C. A.; Zeng, X. C. Guest-Free Monolayer Clathrate and Its Coexistence with Two-Dimensional High-Density Ice Proc. Natl. Acad. Sci. U. S. A. 2010, 107, 5718-5722
-
(2010)
Proc. Natl. Acad. Sci. U. S. A.
, vol.107
, pp. 5718-5722
-
-
Bai, J.1
Angell, C.A.2
Zeng, X.C.3
-
64
-
-
79955426419
-
Phase Transition of Nanotube-Confined Water Driven by Electric Field
-
Fu, Z.; Luo, Y.; Ma, J.; Wei, G. Phase Transition of Nanotube-Confined Water Driven by Electric Field J. Chem. Phys. 2011, 134, 154507-154506
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 154507-154506
-
-
Fu, Z.1
Luo, Y.2
Ma, J.3
Wei, G.4
|