-
2
-
-
0001869980
-
HCl Acid ionization in water: A theoretical modeling
-
Ando, K.; Hynes, J. T. HCl Acid Ionization in Water: A Theoretical Modeling J. Mol. Liq. 1995, 64, 25-37
-
(1995)
J. Mol. Liq.
, vol.64
, pp. 25-37
-
-
Ando, K.1
Hynes, J.T.2
-
3
-
-
70849128249
-
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study
-
Berkelbach, T. C.; Lee, H. S.; Tuckerman, M. E. Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study Phys. Rev. Lett. 2009, 103, 238302
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 238302
-
-
Berkelbach, T.C.1
Lee, H.S.2
Tuckerman, M.E.3
-
4
-
-
38849196324
-
Water as an active constituent in cell biology
-
Ball, P. Water As an Active Constituent in Cell Biology Chem. Rev. 2008, 108, 74-108
-
(2008)
Chem. Rev.
, vol.108
, pp. 74-108
-
-
Ball, P.1
-
5
-
-
32444440762
-
A molecular jump mechanism of water reorientation
-
Laage, D.; Hynes, J. T. A Molecular Jump Mechanism of Water Reorientation Science 2006, 311, 832-835
-
(2006)
Science
, vol.311
, pp. 832-835
-
-
Laage, D.1
Hynes, J.T.2
-
6
-
-
57049116557
-
On the molecular mechanism of water reorientation
-
Laage, D.; Hynes, J. T. On the Molecular Mechanism of Water Reorientation J. Phys. Chem. B 2008, 112, 14230-14242
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 14230-14242
-
-
Laage, D.1
Hynes, J.T.2
-
7
-
-
24944495371
-
Hydrogen bonds in liquid water are broken only fleetingly
-
Eaves, J. D.; Loparo, J. J.; Fecko, C. J.; Roberts, S. T.; Tokmakoff, A.; Geissler, P. L. Hydrogen Bonds in Liquid Water Are Broken Only Fleetingly Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 13019-13022
-
(2005)
Proc. Natl. Acad. Sci. U.S.A.
, vol.102
, pp. 13019-13022
-
-
Eaves, J.D.1
Loparo, J.J.2
Fecko, C.J.3
Roberts, S.T.4
Tokmakoff, A.5
Geissler, P.L.6
-
8
-
-
0001657559
-
A consistent molecular treatment of dielectric phenomena
-
While the Debye relaxation time is a first-order relaxation time, it pertains to the reorientation of the total dipole moment, and the connection to the single-molecule reorientation time is ambiguous (see, e.g.,;)
-
While the Debye relaxation time is a first-order relaxation time, it pertains to the reorientation of the total dipole moment, and the connection to the single-molecule reorientation time is ambiguous (see, e.g., Madden, P.; Kivelson, D. A Consistent Molecular Treatment of Dielectric Phenomena Adv. Chem. Phys. 1984, 56, 467-566)
-
(1984)
Adv. Chem. Phys.
, vol.56
, pp. 467-566
-
-
Madden, P.1
Kivelson, D.2
-
9
-
-
65249109324
-
Reinterpretation of the liquid water quasi-elastic neutron scattering spectra based on a nondiffusive jump reorientation mechanism
-
Laage, D. Reinterpretation of the Liquid Water Quasi-Elastic Neutron Scattering Spectra Based on a Nondiffusive Jump Reorientation Mechanism J. Phys. Chem. B 2009, 113, 2684-2687
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 2684-2687
-
-
Laage, D.1
-
10
-
-
33845329898
-
Do more strongly hydrogen-bonded waters reorient more slowly?
-
Laage, D.; Hynes, J. T. Do More Strongly Hydrogen-Bonded Waters Reorient More Slowly? Chem. Phys. Lett. 2006, 433, 80 - 85.
-
(2006)
Chem. Phys. Lett.
, vol.433
, pp. 80-85
-
-
Laage, D.1
Hynes, J.T.2
-
11
-
-
1442312858
-
Water dynamics: Vibrational echo correlation spectroscopy and comparison to molecular dynamics simulations
-
Asbury, J. B.; Steinel, T.; Stromberg, C.; Corcelli, S. A.; Lawrence, C. P.; Skinner, J. L.; Fayer, M. D. Water Dynamics: Vibrational Echo Correlation Spectroscopy and Comparison to Molecular Dynamics Simulations J. Phys. Chem. A 2004, 108, 1107-1119
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 1107-1119
-
-
Asbury, J.B.1
Steinel, T.2
Stromberg, C.3
Corcelli, S.A.4
Lawrence, C.P.5
Skinner, J.L.6
Fayer, M.D.7
-
12
-
-
70349263452
-
Structural rearrangements in water viewed through two-dimensional infrared spectroscopy
-
Roberts, S. T.; Ramasesha, K.; Tokmakoff, A. Structural Rearrangements in Water Viewed Through Two-Dimensional Infrared Spectroscopy Acc. Chem. Res. 2009, 42, 1239-1249
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 1239-1249
-
-
Roberts, S.T.1
Ramasesha, K.2
Tokmakoff, A.3
-
13
-
-
16844382277
-
Dynamics of water probed with vibrational echo correlation spectroscopy
-
Asbury, J. B.; Steinel, T.; Kwak, K.; Corcelli, S. A.; Lawrence, C. P.; Skinner, J. L.; Fayer, M. D. Dynamics of Water Probed with Vibrational Echo Correlation Spectroscopy J. Chem. Phys. 2004, 121, 12431-12446
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 12431-12446
-
-
Asbury, J.B.1
Steinel, T.2
Kwak, K.3
Corcelli, S.A.4
Lawrence, C.P.5
Skinner, J.L.6
Fayer, M.D.7
-
14
-
-
15044356423
-
2O
-
2O Nature 2005, 434, 199-202
-
(2005)
Nature
, vol.434
, pp. 199-202
-
-
Cowan, M.1
Bruner, B.2
Huse, N.3
Dwyer, J.4
Chugh, B.5
Nibbering, E.6
Elsaesser, T.7
Miller, R.8
-
15
-
-
33845321069
-
Multidimensional infrared spectroscopy of water. II. Hydrogen bond switching dynamics
-
Loparo, J. J.; Roberts, S. T.; Tokmakoff, A. Multidimensional Infrared Spectroscopy of Water. II. Hydrogen Bond Switching Dynamics J. Chem. Phys. 2006, 125, 194522
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 194522
-
-
Loparo, J.J.1
Roberts, S.T.2
Tokmakoff, A.3
-
16
-
-
77749344662
-
Water hydrogen bond dynamics in aqueous solutions of amphiphiles
-
Stirnemann, G.; Hynes, J. T.; Laage, D. Water Hydrogen Bond Dynamics in Aqueous Solutions of Amphiphiles J. Phys. Chem. B 2010, 114, 3052-3059
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 3052-3059
-
-
Stirnemann, G.1
Hynes, J.T.2
Laage, D.3
-
17
-
-
0030696821
-
Femtosecond Mid-IR pump-probe spectroscopy of liquid water: Evidence for a two-component structure
-
Woutersen, S.; Emmerichs, U.; Bakker, H. J. Femtosecond Mid-IR Pump-Probe Spectroscopy of Liquid Water: Evidence for a Two-Component Structure Science 1997, 278, 658-660
-
(1997)
Science
, vol.278
, pp. 658-660
-
-
Woutersen, S.1
Emmerichs, U.2
Bakker, H.J.3
-
18
-
-
10944258763
-
Watching hydrogen bonds break: A transient absorption study of water
-
Steinel, T.; Asbury, J. B.; Zheng, J. R.; Fayer, M. D. Watching Hydrogen Bonds Break: A Transient Absorption Study of Water J. Phys. Chem. A 2004, 108, 10957-10964
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10957-10964
-
-
Steinel, T.1
Asbury, J.B.2
Zheng, J.R.3
Fayer, M.D.4
-
20
-
-
44449155291
-
Water inertial reorientation: Hydrogen bond strength and the angular potential
-
Moilanen, D. E.; Fenn, E. E.; Lin, Y. S.; Skinner, J. L.; Bagchi, B.; Fayer, M. D. Water Inertial Reorientation: Hydrogen Bond Strength and the Angular Potential Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 5295-5300
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 5295-5300
-
-
Moilanen, D.E.1
Fenn, E.E.2
Lin, Y.S.3
Skinner, J.L.4
Bagchi, B.5
Fayer, M.D.6
-
21
-
-
57149129583
-
Molecular reorientation of liquid water studied with femtosecond midinfrared spectroscopy
-
Bakker, H. J.; Rezus, Y. L. A.; Timmer, R. L. A. Molecular Reorientation of Liquid Water Studied with Femtosecond Midinfrared Spectroscopy J. Phys. Chem. A 2008, 112, 11523-11534
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 11523-11534
-
-
Bakker, H.J.1
Rezus, Y.L.A.2
Timmer, R.L.A.3
-
22
-
-
77949638476
-
Vibrational spectroscopy as a probe of structure and dynamics in liquid water
-
Bakker, H. J.; Skinner, J. L. Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water Chem. Rev. 2010, 110, 1498-1517
-
(2010)
Chem. Rev.
, vol.110
, pp. 1498-1517
-
-
Bakker, H.J.1
Skinner, J.L.2
-
24
-
-
0019201754
-
Effect of librational motion on fluorescence depolarization and nuclear magnetic resonance relaxation in macromolecules and membranes
-
Lipari, G.; Szabo, A. Effect of Librational Motion on Fluorescence Depolarization and Nuclear Magnetic Resonance Relaxation in Macromolecules and Membranes Biophys. J. 1980, 30, 489-506
-
(1980)
Biophys. J.
, vol.30
, pp. 489-506
-
-
Lipari, G.1
Szabo, A.2
-
25
-
-
0033518225
-
Resonant intermolecular transfer of vibrational energy in liquid water
-
This only applies to dilute isotopic mixtures of water where the anisotropy decay is due to molecular reorientation. In pure water, the anisotropy decay is dominated by the faster vibrational energy transfer between molecules (see, e.g.,;., - 509 and
-
This only applies to dilute isotopic mixtures of water where the anisotropy decay is due to molecular reorientation. In pure water, the anisotropy decay is dominated by the faster vibrational energy transfer between molecules (see, e.g., Woutersen, S.; Bakker, H. J. Resonant Intermolecular Transfer of Vibrational Energy in Liquid Water. Nature 1999, 402, 507 - 509 and
-
(1999)
Nature
, vol.402
, pp. 507
-
-
Woutersen, S.1
Bakker, H.J.2
-
26
-
-
72049092440
-
Ultrafast energy relaxation and anisotropy decay of the librational motion in liquid water: A molecular dynamics study
-
Yagasaki, T.; Ono, J.; Saito, S. Ultrafast Energy Relaxation and Anisotropy Decay of the Librational Motion in Liquid Water: A Molecular Dynamics Study J. Chem. Phys. 2009, 131, 164511)
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 164511
-
-
Yagasaki, T.1
Ono, J.2
Saito, S.3
-
27
-
-
34548099699
-
Pronounced non-condon effects in the ultrafast infrared spectroscopy of water
-
Schmidt, J. R.; Corcelli, S. A.; Skinner, J. L. Pronounced Non-Condon Effects in the Ultrafast Infrared Spectroscopy of Water J. Chem. Phys. 2005, 123, 044513
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 044513
-
-
Schmidt, J.R.1
Corcelli, S.A.2
Skinner, J.L.3
-
28
-
-
77952711123
-
-
X,Y is the component of the OH orientation along the X,Y direction, respectively
-
X,Y is the component of the OH orientation along the X,Y direction, respectively.
-
-
-
-
29
-
-
34547412443
-
Reorientational dynamics of water molecules in anionic hydration shells
-
Laage, D.; Hynes, J. T. Reorientational Dynamics of Water Molecules in Anionic Hydration Shells Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 11167-11172
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 11167-11172
-
-
Laage, D.1
Hynes, J.T.2
-
30
-
-
65249157127
-
Why water reorientation slows without iceberg formation around hydrophobic solutes
-
Laage, D.; Stirnemann, G.; Hynes, J. T. Why Water Reorientation Slows without Iceberg Formation around Hydrophobic Solutes J. Phys. Chem. B 2009, 113, 2428-2435
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 2428-2435
-
-
Laage, D.1
Stirnemann, G.2
Hynes, J.T.3
-
31
-
-
77149146180
-
Water hydrogen-bond dynamics around amino acids: The key role of hydrophilic hydrogen-bond acceptor groups
-
Sterpone, F.; Stirnemann, G.; Hynes, J. T.; Laage, D. Water Hydrogen-Bond Dynamics around Amino Acids: The Key Role of Hydrophilic Hydrogen-Bond Acceptor Groups J. Phys. Chem. B 2010, 114, 2083-2089
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 2083-2089
-
-
Sterpone, F.1
Stirnemann, G.2
Hynes, J.T.3
Laage, D.4
-
32
-
-
0037254829
-
2O. III. Spectral diffusion, and hydrogen-bonding and rotational dynamics
-
2O. III. Spectral Diffusion, and Hydrogen-Bonding and Rotational Dynamics J. Chem. Phys. 2003, 118, 264-272
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 264-272
-
-
Lawrence, C.P.1
Skinner, J.L.2
-
33
-
-
77952709484
-
-
298K) ? 0.25 is consistent with the detailed evaluation in ref 6
-
298K) ? 0.25 is consistent with the detailed evaluation in ref 6.
-
-
-
-
34
-
-
58849154044
-
Ion-water hydrogen-bond switching observed with 2d ir vibrational echo chemical exchange spectroscopy
-
While the frequency-dependent reorientation evidences the existence of angular jumps in bulk water, it cannot provide the jump characteristics. For concentrated aqueous salt solutions, recent 2D IR studies have measured the water HB switching time between an anion and a water molecule (;;;;) and the angular amplitude of the associated motion (K. J. Gaffney, SLAC, private communication)
-
While the frequency-dependent reorientation evidences the existence of angular jumps in bulk water, it cannot provide the jump characteristics. For concentrated aqueous salt solutions, recent 2D IR studies have measured the water HB switching time between an anion and a water molecule (Moilanen, D. E.; Wong, D.; Rosenfeld, D. E.; Fenn, E. E.; Fayer, M. D. Ion-Water Hydrogen-Bond Switching Observed with 2D IR Vibrational Echo Chemical Exchange Spectroscopy Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 375-380) and the angular amplitude of the associated motion (K. J. Gaffney, SLAC, private communication)
-
(2009)
Proc. Natl. Acad. Sci. U.S.A.
, vol.106
, pp. 375-380
-
-
Moilanen, D.E.1
Wong, D.2
Rosenfeld, D.E.3
Fenn, E.E.4
Fayer, M.D.5
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