-
1
-
-
0030618072
-
Heterogeneous and Multiphase Chemistry in the Troposphere
-
A. R. Ravishankara, Heterogeneous and Multiphase Chemistry in the Troposphere Science, 1997, 276, 1058.
-
(1997)
Science
, vol.276
, pp. 1058
-
-
Ravishankara, A.R.1
-
3
-
-
79960543732
-
Perspective: Water Cluster Mediated Atmospheric Chemistry
-
V. Vaida, Perspective: Water Cluster Mediated Atmospheric Chemistry J. Chem. Phys., 2011, 135, 020901.
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 20901
-
-
Vaida, V.1
-
5
-
-
80055029191
-
Does Nitric Acid Dissociate at the Aqueous Solution Surface?
-
T. Lewis, B. Winter, A. C. Stern, M. D. Baer, C. J. Mundy, D. J. Tobias, J. C. Hemminger, Does Nitric Acid Dissociate at the Aqueous Solution Surface? J. Phys. Chem. C, 2011, 115, 21183-21190
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 21183-21190
-
-
Lewis, T.1
Winter, B.2
Stern, A.C.3
Baer, M.D.4
Mundy, C.J.5
Tobias, D.J.6
Hemminger, J.C.7
-
6
-
-
84875728619
-
Surface Behavior of Malonic Acid Adsorption at the Air/Water Interface
-
P. G. Blower, E. Shamay, L. Kringle, S. T. Ota, G. L. Richmond, Surface Behavior of Malonic Acid Adsorption at the Air/Water Interface J. Phys. Chem. A, 2013, 117, 2529-2542
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2529-2542
-
-
Blower, P.G.1
Shamay, E.2
Kringle, L.3
Ota, S.T.4
Richmond, G.L.5
-
7
-
-
84883195929
-
Sink or Surf: Atmospheric Implications for Succinic Acid at Aqueous Surfaces
-
P. G. Blower, S. T. Ota, N. A. Valley, S. R. Wood, G. L. Richmond, Sink or Surf: Atmospheric Implications for Succinic Acid at Aqueous Surfaces J. Phys. Chem. A, 2013, 117, 7887-7903
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 7887-7903
-
-
Blower, P.G.1
Ota, S.T.2
Valley, N.A.3
Wood, S.R.4
Richmond, G.L.5
-
8
-
-
35848959049
-
At the Water’s Edge: Nitric Acid as a Weak Acid
-
E. S. Shamay, V. Buch, M. Parrinello, G. L. Richmond, At the Water’s Edge: Nitric Acid as a Weak Acid J. Am. Chem. Soc., 2007, 129, 12910-12911
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 12910-12911
-
-
Shamay, E.S.1
Buch, V.2
Parrinello, M.3
Richmond, G.L.4
-
9
-
-
63849327980
-
Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Molecular Dynamics
-
S. Wang, R. Bianco, J. T. Hynes, Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Molecular Dynamics J. Phys. Chem. A, 2009, 113, 1295-1307
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 1295-1307
-
-
Wang, S.1
Bianco, R.2
Hynes, J.T.3
-
10
-
-
70449568242
-
Structure of Large Nitrate-Water Clusters at Ambient Temperatures: Simulations with Effective Fragment Potentials and Force Fields with Implications for Atmospheric Chemistry
-
Y. Miller, J. L. Thomas, D. D. Kemp, B. J. Finlayson-Pitts, M. S. Gordon, D. J. Tobias, R. B. Gerber, Structure of Large Nitrate-Water Clusters at Ambient Temperatures: Simulations with Effective Fragment Potentials and Force Fields with Implications for Atmospheric Chemistry J. Phys. Chem. A, 2009, 113, 12805-12814
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12805-12814
-
-
Miller, Y.1
Thomas, J.L.2
Kemp, D.D.3
Finlayson-Pitts, B.J.4
Gordon, M.S.5
Tobias, D.J.6
Gerber, R.B.7
-
11
-
-
33947440119
-
The Ionization Constant of Carbonic Acid in Water and the Solubility of Carbon Dioxide in Water and Aqueous Salt Solutions from 0 to 50°
-
H. S. Harned, R. Davis, The Ionization Constant of Carbonic Acid in Water and the Solubility of Carbon Dioxide in Water and Aqueous Salt Solutions from 0 to 50° J. Am. Chem. Soc., 1943, 65, 2030-2037
-
(1943)
J. Am. Chem. Soc.
, vol.65
, pp. 2030-2037
-
-
Harned, H.S.1
Davis, R.2
-
12
-
-
10244264283
-
The First Ionization Constant of Carbonic Acid, 0 to 38°, from Conductance Measurements
-
T. Shedlovsky, D. A. MacInnes, The First Ionization Constant of Carbonic Acid, 0 to 38°, from Conductance Measurements J. Am. Chem. Soc., 1935, 57, 1705-1710
-
(1935)
J. Am. Chem. Soc.
, vol.57
, pp. 1705-1710
-
-
Shedlovsky, T.1
MacInnes, D.A.2
-
13
-
-
0038985872
-
The Thermodynamic Ionization Constants of Carbonic Acid
-
D. A. MacInnes, D. Belcher, The Thermodynamic Ionization Constants of Carbonic Acid J. Am. Chem. Soc., 1933, 55, 2630-2646
-
(1933)
J. Am. Chem. Soc.
, vol.55
, pp. 2630-2646
-
-
MacInnes, D.A.1
Belcher, D.2
-
14
-
-
0000556876
-
The True Ionization Constant of Carbonic Acid in Aqueous Solution from 5 to 45°
-
K. F. Wissbrun, D. M. French, A. Patterson, The True Ionization Constant of Carbonic Acid in Aqueous Solution from 5 to 45° J. Phys. Chem., 1954, 58, 693-695
-
(1954)
J. Phys. Chem.
, vol.58
, pp. 693-695
-
-
Wissbrun, K.F.1
French, D.M.2
Patterson, A.3
-
15
-
-
0036562872
-
3 Ratio in Aqueous NaCl Solution
-
3 Ratio in Aqueous NaCl Solution Mar. Chem., 2002, 78, 65-73
-
(2002)
Mar. Chem.
, vol.78
, pp. 65-73
-
-
Soli, A.L.1
Byrne, R.H.2
-
16
-
-
72949094208
-
Real-Time Observation of Carbonic Acid Formation in Aqueous Solution
-
K. Adamczyk, M. Prémont-Schwarz, D. Pines, E. Pines, E. T. J. Nibbering, Real-Time Observation of Carbonic Acid Formation in Aqueous Solution Science, 2009, 326, 1690-1694
-
(2009)
Science
, vol.326
, pp. 1690-1694
-
-
Adamczyk, K.1
Prémont-Schwarz, M.2
Pines, D.3
Pines, E.4
Nibbering, E.T.J.5
-
18
-
-
85009348143
-
Mechanistic Insights into the Dissociation and Decomposition of Carbonic Acid in Water via the Hydroxide Route: An Ab Initio Metadynamics Study
-
M. Galib, G. Hanna, Mechanistic Insights into the Dissociation and Decomposition of Carbonic Acid in Water via the Hydroxide Route: an Ab Initio Metadynamics Study J. Phys. Chem. B, 2011, 115, 15024-15035
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 15024-15035
-
-
Galib, M.1
Hanna, G.2
-
19
-
-
0032570660
-
Carbonic Acid in the Gas Phase and its Astrophysical Relevance
-
W. Hage, K. R. Liedl, A. Hallbrucker, E. Mayer, Carbonic Acid in the Gas Phase and its Astrophysical Relevance Science, 1998, 279, 1332-1335
-
(1998)
Science
, vol.279
, pp. 1332-1335
-
-
Hage, W.1
Liedl, K.R.2
Hallbrucker, A.3
Mayer, E.4
-
21
-
-
84985594990
-
3) in the Gas Phase
-
3) in the Gas Phase Angew. Chem., Int. Ed. Engl., 1987, 26, 354-355
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 354-355
-
-
Terlouw, J.K.1
Lebrilla, C.B.2
Schwarz, H.3
-
22
-
-
0034678765
-
In Spite of the Chemist’s Belief: Carbonic Acid is Surprisingly Stable
-
R. Ludwig, A. Kornath, In Spite of the Chemist’s Belief: Carbonic Acid is Surprisingly Stable Angew. Chem., Int. Ed., 2000, 39, 1421-1423
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 1421-1423
-
-
Ludwig, R.1
Kornath, A.2
-
23
-
-
66749109275
-
Spectroscopic Detection of Isolated Carbonic Acid
-
T. Mori, K. Suma, Y. Sumiyoshi, Y. Endo, Spectroscopic Detection of Isolated Carbonic Acid J. Chem. Phys., 2009, 130, 204308.
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 204308
-
-
Mori, T.1
Suma, K.2
Sumiyoshi, Y.3
Endo, Y.4
-
24
-
-
77249101311
-
Comprehensive Study of the Hydration and Dehydration Reactions of Carbon Dioxide in Aqueous Solution
-
X. Wang, W. Conway, R. Burns, N. McCann, M. Maeder, Comprehensive Study of the Hydration and Dehydration Reactions of Carbon Dioxide in Aqueous Solution J. Phys. Chem. A, 2010, 114, 1734-1740
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 1734-1740
-
-
Wang, X.1
Conway, W.2
Burns, R.3
McCann, N.4
Maeder, M.5
-
26
-
-
0000983639
-
Potential Energy Surface and Vibrational Frequencies of Carbonic Acid
-
C. A. Wight, A. I. Boldyrev, Potential Energy Surface and Vibrational Frequencies of Carbonic Acid J. Phys. Chem., 1995, 99, 12125-12130
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 12125-12130
-
-
Wight, C.A.1
Boldyrev, A.I.2
-
27
-
-
0031549625
-
How Many Water Molecules Are Actively Involved in the Neutral Hydration of Carbon Dioxide?
-
M. T. Nguyen, G. Raspoet, L. G. Vanquickenborne, How Many Water Molecules Are Actively Involved in the Neutral Hydration of Carbon Dioxide? J. Phys. Chem. A, 1997, 101, 40, 7379-7388
-
(1997)
J. Phys. Chem. A
, vol.101
, Issue.40
, pp. 7379-7388
-
-
Nguyen, M.T.1
Raspoet, G.2
Vanquickenborne, L.G.3
-
28
-
-
0034599006
-
3)
-
3) Angew. Chem., Int. Ed., 2000, 39, 891-894
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 891-894
-
-
Loerting, T.1
Tautermann, C.2
Kroemer, R.T.3
Kohl, I.4
Hallbrucker, A.5
Mayer, E.6
Liedl, K.R.7
-
29
-
-
0037016580
-
3) in Aqueous Solution
-
3) in Aqueous Solution Chem. - Eur. J., 2002, 8, 66-73
-
(2002)
Chem. - Eur. J.
, vol.8
, pp. 66-73
-
-
Tautermann, C.S.1
Voegele, A.F.2
Loerting, T.3
Kohl, I.4
Hallbrucker, A.5
Mayer, E.6
Liedl, K.R.7
-
30
-
-
29544444435
-
a, NMR Shifts, and Isotopic Fractionations
-
a, NMR Shifts, and Isotopic Fractionations Geochim. Cosmochim. Acta, 2005, 69, 5647-5658
-
(2005)
Geochim. Cosmochim. Acta
, vol.69
, pp. 5647-5658
-
-
Tossell, J.A.1
-
32
-
-
34249898351
-
Dissociation of Carbonic Acid: Gas Phase Energetics and Mechanism from Ab Initio Metadynamics Simulations
-
P. P. Kumar, A. G. Kalinichev, R. J. Kirkpatrick, Dissociation of Carbonic Acid: Gas Phase Energetics and Mechanism from Ab Initio Metadynamics Simulations J. Chem. Phys., 2007, 126, 204315.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 204315
-
-
Kumar, P.P.1
Kalinichev, A.G.2
Kirkpatrick, R.J.3
-
33
-
-
55149090531
-
2O versus Microsolvation
-
2O versus Microsolvation J. Phys. Chem. A, 2008, 112, 10386-10398
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 10386-10398
-
-
Nguyen, M.T.1
Matus, M.H.2
Jackson, V.E.3
Ngan, V.T.4
Rustad, J.R.5
Dixon, D.A.6
-
34
-
-
61949453217
-
Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car-Parrinello Molecular Dynamics Simulations
-
P. P. Kumar, A. G. Kalinichev, R. J. Kirkpatrick, Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car-Parrinello Molecular Dynamics Simulations J. Phys. Chem. B, 2009, 113, 794-802
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 794-802
-
-
Kumar, P.P.1
Kalinichev, A.G.2
Kirkpatrick, R.J.3
-
35
-
-
78650161610
-
In Silico Calculation of Acidity Constants of Carbonic Acid Conformers
-
X. Liu, X. Lu, R. Wang, H. Zhou, In Silico Calculation of Acidity Constants of Carbonic Acid Conformers J. Phys. Chem. A, 2010, 114, 49, 12914-12917
-
(2010)
J. Phys. Chem. A
, vol.114
, Issue.49
, pp. 12914-12917
-
-
Liu, X.1
Lu, X.2
Wang, R.3
Zhou, H.4
-
36
-
-
83455213614
-
2 at High pH: Ab Initio Molecular Dynamics Study
-
2 at High pH: Ab Initio Molecular Dynamics Study J. Phys. Chem. B, 2011, 115, 14683-14687
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 14683-14687
-
-
Stirling, A.1
-
37
-
-
78651135886
-
Rate of Hydration of Carbon Dioxide and Dehydration of Carbonic Acid at 25°
-
B. H. Gibbons, J. T. Edsall, Rate of Hydration of Carbon Dioxide and Dehydration of Carbonic Acid at 25° J. Biol. Chem., 1963, 238, 3502.
-
(1963)
J. Biol. Chem.
, vol.238
, pp. 3502
-
-
Gibbons, B.H.1
Edsall, J.T.2
-
38
-
-
84901999786
-
3 in Water: Mechanistic Insights from Ab Initio Metadynamics Studies of Aqueous Clusters
-
3 in Water: Mechanistic Insights from Ab Initio Metadynamics Studies of Aqueous Clusters J. Phys. Chem. B, 2014, 118, 5983-5993
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 5983-5993
-
-
Galib, M.1
Hanna, G.2
-
39
-
-
4243606192
-
Unified Approach for Molecular Dynamics and Density-Functional Theory
-
R. Car, M. Parrinello, Unified Approach for Molecular Dynamics and Density-Functional Theory Phys. Rev. Lett., 1985, 55, 2471-2474
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
41
-
-
84870776350
-
NOx Reactions on Aqueous Surfaces with Gaseous HCl: Formation of a Potential Precursor to Atmospheric Cl Atoms
-
A. D. Hammerich, B. J. Finlayson-Pitts, R. B. Gerber, NOx Reactions on Aqueous Surfaces with Gaseous HCl: Formation of a Potential Precursor to Atmospheric Cl Atoms J. Phys. Chem. Lett., 2012, 3, 3405-3410
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 3405-3410
-
-
Hammerich, A.D.1
Finlayson-Pitts, B.J.2
Gerber, R.B.3
-
42
-
-
4243553426
-
Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
-
A. D. Becke, Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A: At., Mol., Opt. Phys., 1988, 38, 6, 3098-3100
-
(1988)
Phys. Rev. A: At., Mol., Opt. Phys.
, vol.38
, Issue.6
, pp. 3098-3100
-
-
Becke, A.D.1
-
43
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
C. Lee, W. Yang, R. G. Parr, Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B: Condens. Matter Mater. Phys., 1988, 37, 2, 785-789
-
(1988)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.37
, Issue.2
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
44
-
-
20544463457
-
Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism
-
D. Vanderbilt, Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B: Condens. Matter Mater. Phys., 1990, 41, 11, 7892-7895
-
(1990)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.41
, Issue.11
, pp. 7892-7895
-
-
Vanderbilt, D.1
-
45
-
-
85035219161
-
-
3 with periodic boundary conditions in the x and y directions, the maximum meaningful distance for the RDF is approximately. Therefore, all RDFs were truncated at this distance
-
3 with periodic boundary conditions in the x and y directions, the maximum meaningful distance for the RDF is approximately . Therefore, all RDFs were truncated at this distance
-
-
-
|