-
1
-
-
34548259162
-
Effect of Surface Polarity on Water Contact Angle and Interfacial Hydration Structure
-
Giovambattista, N.; Debenedetti, P. G.; Rossky, P. J. Effect of Surface Polarity on Water Contact Angle and Interfacial Hydration Structure J. Phys. Chem. B 2007, 111, 9581-9587
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 9581-9587
-
-
Giovambattista, N.1
Debenedetti, P.G.2
Rossky, P.J.3
-
2
-
-
0033616808
-
Surface Geochemistry of the Clay Minerals
-
Sposito, G.; Skipper, N. T.; Sutton, R.; Park, S.-H.; Scoper, A. K.; Greathoouse, J. A. Surface Geochemistry of the Clay Minerals Proc. Natl. Acad. Sci. 1999, 96, 3358-3364
-
(1999)
Proc. Natl. Acad. Sci.
, vol.96
, pp. 3358-3364
-
-
Sposito, G.1
Skipper, N.T.2
Sutton, R.3
Park, S.-H.4
Scoper, A.K.5
Greathoouse, J.A.6
-
3
-
-
18144370104
-
Fluidity of Hydration Layers Nanoconfined between Mica Surfaces
-
Leng, Y.; Cummings, P. T. Fluidity of Hydration Layers Nanoconfined between Mica Surfaces Phys. Rev. Lett. 2005, 94, 026101
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 026101
-
-
Leng, Y.1
Cummings, P.T.2
-
5
-
-
0008863560
-
Some Factors in the Interpretation of Protein Denaturation
-
Kauzmann, W. Some Factors in the Interpretation of Protein Denaturation Adv. Protein Chem. 1959, 14, 1-63
-
(1959)
Adv. Protein Chem.
, vol.14
, pp. 1-63
-
-
Kauzmann, W.1
-
6
-
-
0025370815
-
Dominant Forces in Protein Folding
-
Dill, K. A. Dominant Forces in Protein Folding Biochemistry 1990, 29, 7133-7155
-
(1990)
Biochemistry
, vol.29
, pp. 7133-7155
-
-
Dill, K.A.1
-
7
-
-
26944481188
-
Interfaces and the Driving Force of Hydrophobic Assembly
-
Chandler, D. Interfaces and the Driving Force of Hydrophobic Assembly Nature 2005, 437, 640-647
-
(2005)
Nature
, vol.437
, pp. 640-647
-
-
Chandler, D.1
-
8
-
-
0000901733
-
Study of Water Droplets and Films on Graphite by Noncontact Scanning Force Microscopy
-
Luna, M.; Colchero, J.; Baró, A. M. Study of Water Droplets and Films on Graphite by Noncontact Scanning Force Microscopy J. Phys. Chem. B 1999, 103, 9576-9581
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 9576-9581
-
-
Luna, M.1
Colchero, J.2
Baró, A.M.3
-
9
-
-
0033740125
-
Adsorption of Water on Solid Surfaces Studied by Scanning Force Microscopy
-
Gil, A.; Colchero, J.; Luna, M.; Gómez-Herrero, J.; Baró, A. M. Adsorption of Water on Solid Surfaces Studied by Scanning Force Microscopy Langmuir 2000, 16, 5086-5092
-
(2000)
Langmuir
, vol.16
, pp. 5086-5092
-
-
Gil, A.1
Colchero, J.2
Luna, M.3
Gómez-Herrero, J.4
Baró, A.M.5
-
11
-
-
0032557485
-
Fullerene Pipes
-
Liu, J.; Rinzler, A. G.; Dai, H.; Hafner, J. H.; Bradley, R. K.; Boul, P. J.; Lu, A.; Iverson, T.; Shelimov, K.; Huffman, C. B. et al. Fullerene Pipes Science 1998, 280, 1253-1256
-
(1998)
Science
, vol.280
, pp. 1253-1256
-
-
Liu, J.1
Rinzler, A.G.2
Dai, H.3
Hafner, J.H.4
Bradley, R.K.5
Boul, P.J.6
Lu, A.7
Iverson, T.8
Shelimov, K.9
Huffman, C.B.10
-
12
-
-
0000173802
-
Wetting Properties at the Submicrometer Scale: A Scanning Polarization Force Microscopy Study
-
Rieutord, F.; Salmeron, M. Wetting Properties at the Submicrometer Scale: A Scanning Polarization Force Microscopy Study J. Phys. Chem. B 1998, 102, 3941-3944
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3941-3944
-
-
Rieutord, F.1
Salmeron, M.2
-
13
-
-
0345904740
-
Bio-inspired Acoustic Sensors Based on Artificial Stereocilia
-
Noca, F.; Hoenk, M.; Hunt, B.; Koumoutsakos, P.; Walther, J.; Werder, T. Bio-inspired Acoustic Sensors Based on Artificial Stereocilia J. Acoust. Soc. Am. 2000, 108, 2494
-
(2000)
J. Acoust. Soc. Am.
, vol.108
, pp. 2494
-
-
Noca, F.1
Hoenk, M.2
Hunt, B.3
Koumoutsakos, P.4
Walther, J.5
Werder, T.6
-
14
-
-
33748936180
-
Wetting and Anti-wetting on Aligned Carbon Nanotube Films
-
Liu, H.; Zhaia, J.; Jiang, L. Wetting and Anti-wetting on Aligned Carbon Nanotube Films Soft Matter 2006, 2, 811-821
-
(2006)
Soft Matter
, vol.2
, pp. 811-821
-
-
Liu, H.1
Zhaia, J.2
Jiang, L.3
-
15
-
-
77955161656
-
Surface-Energy Engineering of Graphene
-
Shin, Y. J.; Wang, Y.; Huang, H.; Kalon, G.; Wee, A. T. S.; Shen., Z; Bhatia, C. S.; Yang, H. Surface-Energy Engineering of Graphene Langmuir 2010, 26, 3798-3802
-
(2010)
Langmuir
, vol.26
, pp. 3798-3802
-
-
Shin, Y.J.1
Wang, Y.2
Huang, H.3
Kalon, G.4
Wee, A.T.S.5
Shen, Z.6
Bhatia, C.S.7
Yang, H.8
-
16
-
-
70349925823
-
Wettability and Surface Free Energy of Graphene Films
-
Wang, S.; Zhang, Y.; Abidi, N.; Cabrales, L. Wettability and Surface Free Energy of Graphene Films Langmuir 2009, 25, 11078-11081
-
(2009)
Langmuir
, vol.25
, pp. 11078-11081
-
-
Wang, S.1
Zhang, Y.2
Abidi, N.3
Cabrales, L.4
-
17
-
-
0037434746
-
On the Water-Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes
-
Werder, T.; Walther, J. H.; Jaffe, R. L.; Halicioglu, T.; Koumoutsakos, P. On the Water-Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes J. Phys. Chem. B 2003, 107, 1345-1352
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 1345-1352
-
-
Werder, T.1
Walther, J.H.2
Jaffe, R.L.3
Halicioglu, T.4
Koumoutsakos, P.5
-
18
-
-
39049118546
-
Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study
-
Cicero, G.; Grossman, J. C.; Schwegler, E.; Gygi, F.; Galli, G. Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study J. Am. Chem. Soc. 2008, 130, 1871-1878
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 1871-1878
-
-
Cicero, G.1
Grossman, J.C.2
Schwegler, E.3
Gygi, F.4
Galli, G.5
-
19
-
-
0000269359
-
Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon Nanotubes
-
Werder, T.; Walther, J. H.; Jaffe, R. L.; Halicioglu, T.; Noca, F.; Koumoutsakos, P. Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon Nanotubes Nano Lett. 2001, 1, 697-702
-
(2001)
Nano Lett.
, vol.1
, pp. 697-702
-
-
Werder, T.1
Walther, J.H.2
Jaffe, R.L.3
Halicioglu, T.4
Noca, F.5
Koumoutsakos, P.6
-
20
-
-
68949104130
-
Water on Graphene: Hydrophobicity and Dipole Moment Using Density Functional Theory
-
Leenaerts, O.; Partoens, B.; Peeters, F. M. Water on Graphene: Hydrophobicity and Dipole Moment Using Density Functional Theory Phys. Rev. B 2009, 79, 235440
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235440
-
-
Leenaerts, O.1
Partoens, B.2
Peeters, F.M.3
-
21
-
-
66649112452
-
Coexistence and Transition between Cassie and Wenzel State on Pillared Hydrophobic Surface
-
Koishi, T.; Yasuoka, K.; Fujikawa, S.; Ebisuzaki, T.; Zeng, X. C. Coexistence and Transition between Cassie and Wenzel State on Pillared Hydrophobic Surface Proc. Natl. Acad. Sci. 2009, 106, 8435-8440
-
(2009)
Proc. Natl. Acad. Sci.
, vol.106
, pp. 8435-8440
-
-
Koishi, T.1
Yasuoka, K.2
Fujikawa, S.3
Ebisuzaki, T.4
Zeng, X.C.5
-
22
-
-
33746237612
-
Tuning Solid Surfaces from Hydrophobic to Superhydrophilic by Submonolayer Surface Modification
-
Meng, S.; Zhang, Z.; Kaxiras, E. Tuning Solid Surfaces from Hydrophobic to Superhydrophilic by Submonolayer Surface Modification Phys. Rev. Lett. 2006, 97, 036107
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 036107
-
-
Meng, S.1
Zhang, Z.2
Kaxiras, E.3
-
23
-
-
0037169067
-
Hydrophobicity at a Janus Interface
-
Zhang, X.; Zhu, Y.; Granick, S. Hydrophobicity at a Janus Interface Science 2002, 295, 663-666
-
(2002)
Science
, vol.295
, pp. 663-666
-
-
Zhang, X.1
Zhu, Y.2
Granick, S.3
-
24
-
-
33646432751
-
Thermal Conductance of Hydrophilic and Hydrophobic Interfaces
-
Ge, Z.; Cahill, D. C.; Braun, P. V. Thermal Conductance of Hydrophilic and Hydrophobic Interfaces Phys. Rev. Lett. 2006, 96, 186101
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 186101
-
-
Ge, Z.1
Cahill, D.C.2
Braun, P.V.3
-
25
-
-
33645820084
-
Large-Scale Molecular-Dynamics Simulation of Nanoscale Hydrophobic Interaction and Nanobubble Formation
-
Koishi, T.; Yasuoka, K.; Ebisuzaki, T.; Yoo, S.; Cheng, X. C. Large-Scale Molecular-Dynamics Simulation of Nanoscale Hydrophobic Interaction and Nanobubble Formation J. Chem. Phys. 2005, 123, 204707
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 204707
-
-
Koishi, T.1
Yasuoka, K.2
Ebisuzaki, T.3
Yoo, S.4
Cheng, X.C.5
-
26
-
-
33847230717
-
Hydration Behavior under Confinement by Nanoscale Surfaces with Patterned Hydrophobicity and Hydrophilicity
-
Giovambattista, N.; Debenedetti, P. G.; Rossky, P. J. Hydration Behavior under Confinement by Nanoscale Surfaces with Patterned Hydrophobicity and Hydrophilicity J. Phys. Chem. C 2007, 111, 1323-1332
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 1323-1332
-
-
Giovambattista, N.1
Debenedetti, P.G.2
Rossky, P.J.3
-
27
-
-
33645146020
-
Nanoscale Fluid Flows in the Vicinity of Patterned Surfaces
-
Cieplak, M.; Koplik, J.; Banavar, J. R. Nanoscale Fluid Flows in the Vicinity of Patterned Surfaces Phys. Rev. Lett. 2006, 96, 114502
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 114502
-
-
Cieplak, M.1
Koplik, J.2
Banavar, J.R.3
-
28
-
-
0032725573
-
The Effect of Vicinal Polar and Charged Groups on Hydrophobic Hydration
-
Cheng, Y.-K.; Rossky, P. J. The Effect of Vicinal Polar and Charged Groups on Hydrophobic Hydration Biopolymers 1999, 50, 742-750
-
(1999)
Biopolymers
, vol.50
, pp. 742-750
-
-
Cheng, Y.-K.1
Rossky, P.J.2
-
30
-
-
4043104154
-
-
Springer Science + Business Media, Inc. New York
-
de Gennes, P.-G.; Brochard-Wyart, F.; Quéré, D. Capillarity and Wetting Phenomena: Drops, Bubbles, Pearls, Waves; Springer Science + Business Media, Inc.: New York, 2004.
-
(2004)
Capillarity and Wetting Phenomena: Drops, Bubbles, Pearls, Waves
-
-
De Gennes, P.-G.1
Brochard-Wyart, F.2
Quéré, D.3
-
31
-
-
0033546488
-
Pearl Drops
-
Bico, J.; Marzolin, C.; Quéré, D. Pearl Drops Europhys. Lett. 1999, 47, 220-226
-
(1999)
Europhys. Lett.
, vol.47
, pp. 220-226
-
-
Bico, J.1
Marzolin, C.2
Quéré, D.3
-
32
-
-
0041764362
-
Superhydrophobic States
-
Lafuma, A.; Quéré, D. Superhydrophobic States Nat. Mater. 2003, 2, 457-460
-
(2003)
Nat. Mater.
, vol.2
, pp. 457-460
-
-
Lafuma, A.1
Quéré, D.2
-
33
-
-
33748677499
-
Influence of Surface Roughness on Superhydrophobicity
-
Yang, C.; Tartaglino, U.; Persson, B. N. J. Influence of Surface Roughness on Superhydrophobicity Phys. Rev. Lett. 2006, 97, 116103
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 116103
-
-
Yang, C.1
Tartaglino, U.2
Persson, B.N.J.3
-
34
-
-
0037126789
-
Super-hydrophobic Surfaces: From Natural to Artificial
-
Feng, L.; Li, S.; Li, Y.; Li, H.; Zhang, L.; Zhai, J.; Song, Y.; Liu, B.; Jiang, L.; Zhu, D. Super-hydrophobic Surfaces: From Natural to Artificial Adv. Mater. 2002, 14, 1857-1860
-
(2002)
Adv. Mater.
, vol.14
, pp. 1857-1860
-
-
Feng, L.1
Li, S.2
Li, Y.3
Li, H.4
Zhang, L.5
Zhai, J.6
Song, Y.7
Liu, B.8
Jiang, L.9
Zhu, D.10
-
35
-
-
43849090965
-
Preparation of Transparent BN Films with Superhydrophobic Surface
-
Li, G.-X.; Liu, Y.; Wang, B.; Song, X.-M.; Li, E.; Yan, H. Preparation of Transparent BN Films with Superhydrophobic Surface Appl. Surf. Sci. 2008, 254, 5299-5303
-
(2008)
Appl. Surf. Sci.
, vol.254
, pp. 5299-5303
-
-
Li, G.-X.1
Liu, Y.2
Wang, B.3
Song, X.-M.4
Li, E.5
Yan, H.6
-
36
-
-
66549084210
-
Superhydrophobicity of Boron Nitride Nanotubes Grown on Silicon Substrates
-
Lee, C. H.; Drelich, J.; Yap, Y. K. Superhydrophobicity of Boron Nitride Nanotubes Grown on Silicon Substrates Langmuir 2009, 25, 4853-4860
-
(2009)
Langmuir
, vol.25
, pp. 4853-4860
-
-
Lee, C.H.1
Drelich, J.2
Yap, Y.K.3
-
37
-
-
77955209065
-
Concluding Remarks for FD 146: Answers and Questions
-
Stillinger, F. H. Concluding Remarks for FD 146: Answers and Questions Faraday Discuss 2010, 146, 395-401
-
(2010)
Faraday Discuss
, vol.146
, pp. 395-401
-
-
Stillinger, F.H.1
-
38
-
-
33845790250
-
Molecular Dynamics Study of Liquid Water
-
Rahman, A.; Stillinger, F. H. Molecular Dynamics Study of Liquid Water J. Chem. Phys. 1971, 55, 3336-3359
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 3336-3359
-
-
Rahman, A.1
Stillinger, F.H.2
-
39
-
-
1242346370
-
The Missing Term in Effective Pair Potentials
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Missing Term in Effective Pair Potentials 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
-
40
-
-
33645858780
-
Quantum and Statistical Mechanical Studies of Liquids. 10. Transferable Intermolecular Potential Functions for Water, Alcohols, and Ethers. Application to liquid water
-
Jorgensen, W. L. Quantum and Statistical Mechanical Studies of Liquids. 10. Transferable Intermolecular Potential Functions for Water, Alcohols, and Ethers. Application to liquid water J. Am. Chem. Soc. 1981, 103, 335-340
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 335-340
-
-
Jorgensen, W.L.1
-
41
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulating Liquid Water J. Chem. Phys. 1983, 79, 926
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
42
-
-
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
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 8910
-
-
Mahoney, M.W.1
Jorgensen, W.L.2
-
43
-
-
0442311055
-
Water-Graphite Interaction and Behavior of Water Near the Graphite Surface
-
Pertsin, A.; Grunze, M. Water-Graphite Interaction and Behavior of Water Near the Graphite Surface J. Phys. Chem. B 2004, 108, 1357-1364
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 1357-1364
-
-
Pertsin, A.1
Grunze, M.2
-
44
-
-
34250434907
-
Structure in Aqueous Solutions of Nonpolar Solutes from the Standpoint of Scaled-Particle Theory
-
Stillinger, F. H. J. Structure in Aqueous Solutions of Nonpolar Solutes from the Standpoint of Scaled-Particle Theory Solution Chem. 1973, 2, 141-158
-
(1973)
Solution Chem.
, vol.2
, pp. 141-158
-
-
Stillinger, F.H.J.1
-
45
-
-
0011960339
-
Hydrophobicity at Small and Large Length Scales
-
Lum, K.; Chandler, D.; Weeks, J. D. Hydrophobicity at Small and Large Length Scales J. Phys. Chem. B 1999, 103, 4570-4577
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 4570-4577
-
-
Lum, K.1
Chandler, D.2
Weeks, J.D.3
-
46
-
-
0000808384
-
Pathway to Surface-Induced Phase Transition of a Confined Fluid
-
Lum, K.; Luzar, A. Pathway to Surface-Induced Phase Transition of a Confined Fluid Phys. Rev. E 1997, 56, 6283-6286
-
(1997)
Phys. Rev. e
, vol.56
, pp. 6283-6286
-
-
Lum, K.1
Luzar, A.2
-
47
-
-
0034836138
-
Thermodynamic Implications of Confinement for a Waterlike Fluid
-
Truskett, T. M.; Debenedetti, P. G.; Torquato, S. Thermodynamic Implications of Confinement for a Waterlike Fluid J. Chem. Phys. 2001, 114, 2401
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2401
-
-
Truskett, T.M.1
Debenedetti, P.G.2
Torquato, S.3
-
48
-
-
14944373219
-
On the Mechanism of Hydrophobic Association of Nanoscopic Solutes
-
Choudhury, N.; Pettitt, B. M. On the Mechanism of Hydrophobic Association of Nanoscopic Solutes J. Am. Chem. Soc. 2005, 127, 3556-3567
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 3556-3567
-
-
Choudhury, N.1
Pettitt, B.M.2
-
49
-
-
20844462054
-
Nanoscale Hydrophobic Interaction and Nanobubble Nucleation
-
Koishi, T.; Yoo, S.; Yasuoka, K.; Zeng, X. C.; Narumi, T.; Susukita, R.; Kawai, A.; Furusawa, H.; Suenaga, A.; Okimoto, N. et al. Nanoscale Hydrophobic Interaction and Nanobubble Nucleation Phys. Rev. Lett. 2004, 93, 185701
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 185701
-
-
Koishi, T.1
Yoo, S.2
Yasuoka, K.3
Zeng, X.C.4
Narumi, T.5
Susukita, R.6
Kawai, A.7
Furusawa, H.8
Suenaga, A.9
Okimoto, N.10
-
50
-
-
0142027822
-
Dewetting-Induced Collapse of Hydrophobic Particles
-
Huang, X.; Margulis, C. J.; Berne, B. J. Dewetting-Induced Collapse of Hydrophobic Particles Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 11953-11958
-
(2003)
Proc. Natl. Acad. Sci. U.S.A.
, vol.100
, pp. 11953-11958
-
-
Huang, X.1
Margulis, C.J.2
Berne, B.J.3
-
51
-
-
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
-
52
-
-
77955188370
-
Water Reorientation, Hydrogen-Bond Dynamics and 2D-IR Spectroscopy next to an Extended Hydrophobic Surface
-
Stirnemann, G.; Rossky, P. J.; Hynes, J. T.; Laage, D. Water Reorientation, Hydrogen-Bond Dynamics and 2D-IR Spectroscopy Next to an Extended Hydrophobic Surface Faraday Discuss 2010, 146, 263-281
-
(2010)
Faraday Discuss
, vol.146
, pp. 263-281
-
-
Stirnemann, G.1
Rossky, P.J.2
Hynes, J.T.3
Laage, D.4
-
53
-
-
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
-
54
-
-
25444459902
-
On the Orientational Relaxation of HDO in Liquid Water
-
Rezus, Y. L. A.; Bakker, H. J. On the Orientational Relaxation of HDO in Liquid Water J. Chem. Phys. 2005, 123, 114502
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 114502
-
-
Rezus, Y.L.A.1
Bakker, H.J.2
-
55
-
-
47249106460
-
Water Dynamics-The Effects of Ions and Nanoconfinement
-
Park, S.; Moilanen, D. E.; Fayer, M. D. Water Dynamics-The Effects of Ions and Nanoconfinement J. Phys. Chem. B 2008, 112, 5279-5290
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 5279-5290
-
-
Park, S.1
Moilanen, D.E.2
Fayer, M.D.3
-
56
-
-
48749129145
-
Thermal Signature of Hydrophobic Hydration Dynamics
-
Qvist, J.; Halle, B. Thermal Signature of Hydrophobic Hydration Dynamics J. Am. Chem. Soc. 2008, 130, 10345-103530
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 10345-103530
-
-
Qvist, J.1
Halle, B.2
-
57
-
-
55549086517
-
17O Spin Relaxation in Deeply Supercooled Solutions
-
17O Spin Relaxation in Deeply Supercooled Solutions Biophys. J. 2008, 95, 2951-2963
-
(2008)
Biophys. J.
, vol.95
, pp. 2951-2963
-
-
Mattea, C.1
Qvist, J.2
Halle, B.3
-
58
-
-
4243553426
-
Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
-
Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
59
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
60
-
-
0000160164
-
Separable Dual-Space Gaussian Pseudopotentials
-
Goedecker, S.; Teter, M.; Hutter, J. Separable Dual-Space Gaussian Pseudopotentials Phys. Rev. B: Condens. Matter. 1996, 54, 1703-1710
-
(1996)
Phys. Rev. B: Condens. Matter.
, vol.54
, pp. 1703-1710
-
-
Goedecker, S.1
Teter, M.2
Hutter, J.3
-
61
-
-
0000083717
-
Relativistic Separable Dual-Space Gaussian Pseudopotentials from H to Rn
-
Hartwigsen, C.; Goedecker, S.; Hutter, J. Relativistic Separable Dual-Space Gaussian Pseudopotentials from H to Rn Phys. Rev. B: Condens. Matter. 1998, 58, 3641-3662
-
(1998)
Phys. Rev. B: Condens. Matter.
, vol.58
, pp. 3641-3662
-
-
Hartwigsen, C.1
Goedecker, S.2
Hutter, J.3
-
62
-
-
34648843516
-
Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases
-
VandeVondele, J.; Hutter, J. Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases J. Chem. Phys. 2007, 127, 114105
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 114105
-
-
Vandevondele, J.1
Hutter, J.2
-
63
-
-
4043164887
-
Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections
-
Grimme, S. Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463-1473
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1463-1473
-
-
Grimme, S.1
-
64
-
-
33750559983
-
Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
-
Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
65
-
-
67549101099
-
h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr Functional
-
h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr Functional J. Chem. Phys. 2009, 130, 221102
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 221102
-
-
Yoo, S.1
Zeng, X.C.2
Xantheas, S.S.3
-
66
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
67
-
-
79953322422
-
The Effect of Dispersion Corrections on the Melting Temperature of Liquid Water
-
Yoo, S.; Xantheas, S. S. The Effect of Dispersion Corrections on the Melting Temperature of Liquid Water J. Chem. Phys. 2011, 134, 121105
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 121105
-
-
Yoo, S.1
Xantheas, S.S.2
-
68
-
-
15344345714
-
Quickstep: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach
-
VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. Quickstep: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach Comput. Phys. Commun. 2005, 167, 103-128
-
(2005)
Comput. Phys. Commun.
, vol.167
, pp. 103-128
-
-
Vandevondele, J.1
Krack, M.2
Mohamed, F.3
Parrinello, M.4
Chassaing, T.5
Hutter, J.6
-
69
-
-
0000620023
-
A Hybrid Gaussian and Plane Wave Density Functional Scheme
-
Lippert, G.; Hutter, J.; Parrinello, M. A Hybrid Gaussian and Plane Wave Density Functional Scheme Mol. Phys. 1997, 92, 477-488
-
(1997)
Mol. Phys.
, vol.92
, pp. 477-488
-
-
Lippert, G.1
Hutter, J.2
Parrinello, M.3
|