-
2
-
-
0001023522
-
Identification and Yield of Carbonic Acid and Formaldehyde in Irradiated Ices
-
DelloRusso, N.; Khanna, R. K.; Moore, M. H. Identification and Yield of Carbonic Acid and Formaldehyde in Irradiated Ices J. Geophys. Res. E 1993, 98, 5505-5510
-
(1993)
J. Geophys. Res. e
, vol.98
, pp. 5505-5510
-
-
Dellorusso, N.1
Khanna, R.K.2
Moore, M.H.3
-
3
-
-
0010873322
-
A Polymorph of Carbonic Acid and Its Possible Astrophysical Relevance
-
Hage, W.; Hallbrucker, A.; Mayer, E. A Polymorph of Carbonic Acid and Its Possible Astrophysical Relevance J. Chem. Soc., Faraday Trans. 1995, 91, 2823-2826
-
(1995)
J. Chem. Soc., Faraday Trans.
, vol.91
, pp. 2823-2826
-
-
Hage, W.1
Hallbrucker, A.2
Mayer, E.3
-
4
-
-
0032570660
-
Carbonic acid in the gas phase and its astrophysical relevance
-
DOI 10.1126/science.279.5355.1332
-
Hage, W.; Liedl, K. R.; Hallbrucker, A.; Mayer, E. Carbonic Acid in the Gas Phase and Its Astrophysical Relevance Science 1998, 279, 1332-1335 (Pubitemid 28119570)
-
(1998)
Science
, vol.279
, Issue.5355
, pp. 1332-1335
-
-
Hage, W.1
Liedl, K.R.2
Hallbrucker, A.3
Mayer, E.4
-
5
-
-
0000038368
-
Carbonic Acid: Synthesis by Protonation of Bicarbonate and FTIR Spectroscopic Characterization via a New Cryogenic Technique
-
Hage, W.; Hallbrucker, A.; Mayer, E. Carbonic Acid: Synthesis by Protonation of Bicarbonate and FTIR Spectroscopic Characterization via a New Cryogenic Technique J. Am. Chem. Soc. 1993, 115, 8427-8431
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 8427-8431
-
-
Hage, W.1
Hallbrucker, A.2
Mayer, E.3
-
7
-
-
66749109275
-
Spectroscopic Detection of Isolated Carbonic Acid
-
Mori, T.; Suma, K.; Sumiyoshi, Y.; Endo, Y. 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
-
9
-
-
36148937116
-
Carbonic acid: From polyamorphism to polymorphism
-
DOI 10.1021/ja073594f
-
Winkel, K.; Hage, W.; Loerting, T.; Price, S. L.; Mayer, E. Carbonic Acid: From Polyamorphism to Polymorphism J. Am. Chem. Soc. 2007, 129, 13863-13871 (Pubitemid 350106076)
-
(2007)
Journal of the American Chemical Society
, vol.129
, Issue.45
, pp. 13863-13871
-
-
Winkel, K.1
Hage, W.2
Loerting, T.3
Price, S.L.4
Mayer, E.5
-
10
-
-
79951785215
-
Spectroscopic Observation of Matrix-Isolated Carbonic Acid Trapped from the Gas Phase
-
Bernard, J.; Seidl, M.; Kohl, I.; Mayer, E.; Liedl, K. R.; Galvez, O.; Grothe, H.; Loerting, T. Spectroscopic Observation of Matrix-Isolated Carbonic Acid Trapped from the Gas Phase Angew. Chem., Int. Ed. 2011, 50, 1939-1943
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 1939-1943
-
-
Bernard, J.1
Seidl, M.2
Kohl, I.3
Mayer, E.4
Liedl, K.R.5
Galvez, O.6
Grothe, H.7
Loerting, T.8
-
11
-
-
84878214258
-
Matrix Isolation Studies of Carbonic AcidThe Vapor Phase above the β-Polymorph
-
Bernard, J.; Huber, R. G.; Liedl, K. R.; Grothe, H.; Loerting, T. Matrix Isolation Studies of Carbonic AcidThe Vapor Phase above the β-Polymorph J. Am. Chem. Soc. 2013, 135, 7732-7737
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 7732-7737
-
-
Bernard, J.1
Huber, R.G.2
Liedl, K.R.3
Grothe, H.4
Loerting, T.5
-
12
-
-
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
-
13
-
-
0037016580
-
3) in aqueous solution
-
DOI 10.1002/1521-3765(20020104)8:1<66::AID-CHEM66>3.0.CO;2-F
-
3) in Aqueous Solution Chem.Eur. J. 2002, 8, 66-73 (Pubitemid 34087368)
-
(2002)
Chemistry -A European Journal
, vol.8
, Issue.1
, 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
-
14
-
-
34249898351
-
Dissociation of Carbonic Acid: Gas Phase Energetics and Mechanism from Ab Initio Metadynamics Simulation
-
Kumar, P. P.; Kalinichev, A. G.; Kirkpatrick, R. J. Dissociation of Carbonic Acid: Gas Phase Energetics and Mechanism from Ab Initio Metadynamics Simulation 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
-
15
-
-
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
-
16
-
-
80055034398
-
Populations of Carbonic Acid Isomers at 210 K from a Fast Two-Electron Reduced-Density Matrix Theory
-
Schwerdtfeger, C. A.; Mazziotti, D. A. Populations of Carbonic Acid Isomers at 210 K from a Fast Two-Electron Reduced-Density Matrix Theory J. Phys. Chem. A 2011, 115, 12011-12016
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 12011-12016
-
-
Schwerdtfeger, C.A.1
Mazziotti, D.A.2
-
17
-
-
84884154071
-
Autocatalytic Decomposition of Carbonic Acid
-
de Marothy, S. A. Autocatalytic Decomposition of Carbonic Acid Int. J. Quantum Chem. 2013, 113, 2306-2311
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 2306-2311
-
-
De Marothy, S.A.1
-
19
-
-
1842326839
-
Has the dimer of carbonic acid a lower energy than its constituents water and carbon dioxide?
-
DOI 10.1021/ja961802q, PII S0002786396018021
-
Liedl, K. R.; Sekusak, S.; Mayer, E. Has the Dimer of Carbonic Acid a Lower Energy Than Its Constituents Water and Carbon Dioxide? J. Am. Chem. Soc. 1997, 119, 3782-3784 (Pubitemid 27234380)
-
(1997)
Journal of the American Chemical Society
, vol.119
, Issue.16
, pp. 3782-3784
-
-
Liedl, K.R.1
Sekusak, S.2
Mayer, E.3
-
20
-
-
77956306809
-
Insights into the Structure and Stability of the Carbonic Acid Dimer
-
Murillo, J.; David, J.; Restrepo, A. Insights into the Structure and Stability of the Carbonic Acid Dimer Phys. Chem. Chem. Phys. 2010, 12, 10963-10970
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 10963-10970
-
-
Murillo, J.1
David, J.2
Restrepo, A.3
-
22
-
-
0025697715
-
Detection of Formic Acid in the Cold, Dark Cloud L134N
-
Irvine, W. M.; Friberg, P.; Kaifu, N.; Matthews, H. E.; Minh, Y. C.; Ohishi, M.; Ishikawa, S. Detection of Formic Acid in the Cold, Dark Cloud L134N Astron. Astrophys. 1990, 229, L9-L12
-
(1990)
Astron. Astrophys.
, vol.229
-
-
Irvine, W.M.1
Friberg, P.2
Kaifu, N.3
Matthews, H.E.4
Minh, Y.C.5
Ohishi, M.6
Ishikawa, S.7
-
23
-
-
0030303645
-
Carboxylic Acids in the Troposphere, Occurrence, Sources, and Sinks: A Review
-
Chebbi, A.; Carlier, P. Carboxylic Acids in the Troposphere, Occurrence, Sources, and Sinks: A Review Atmos. Environ. 1996, 30, 4233-4249
-
(1996)
Atmos. Environ.
, vol.30
, pp. 4233-4249
-
-
Chebbi, A.1
Carlier, P.2
-
24
-
-
0030616155
-
Urban and Semi-rural Observations of Carboxylic Acids and Carbonyls
-
Granby, K.; Christensen, C. S.; Lohse, C. Urban and Semi-rural Observations of Carboxylic Acids and Carbonyls Atmos. Environ. 1997, 31, 1403-1415
-
(1997)
Atmos. Environ.
, vol.31
, pp. 1403-1415
-
-
Granby, K.1
Christensen, C.S.2
Lohse, C.3
-
25
-
-
77957562063
-
Carboxylic Acid Catalyzed Keto-Enol Tautomerizations in the Gas Phase
-
da Silva, G. Carboxylic Acid Catalyzed Keto-Enol Tautomerizations in the Gas Phase Angew. Chem., Int. Ed. 2010, 49, 7523-7525
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 7523-7525
-
-
Da Silva, G.1
-
26
-
-
79951839893
-
The Isomerization of Methoxy Radical: Intramolecular Hydrogen Atom Transfer Mediated through Acid Catalysis
-
Buszek, R. J.; Sinha, A.; Francisco, J. S. The Isomerization of Methoxy Radical: Intramolecular Hydrogen Atom Transfer Mediated through Acid Catalysis J. Am. Chem. Soc. 2011, 133, 2013-2015
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 2013-2015
-
-
Buszek, R.J.1
Sinha, A.2
Francisco, J.S.3
-
27
-
-
80055016106
-
3 in the Gas Phase: A Barrierless Mechanism for Sulfuric Acid Production of Potential Atmospheric Importance
-
3 in the Gas Phase: A Barrierless Mechanism for Sulfuric Acid Production of Potential Atmospheric Importance J. Am. Chem. Soc. 2011, 133, 17444-17453
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 17444-17453
-
-
Hazra, M.K.1
Sinha, A.2
-
28
-
-
84881080409
-
New Pathways for Formation of Acids and Carbonyl Products in Low-Temperature Oxidation: The Korcek Decomposition of γ- Ketohydroperoxides
-
Jalan, A.; Alecu, I. M.; Meana-Paneda, R.; Aguilera-Iparraguirre, J.; Yang, K. R.; Merchant, S. S.; Truhlar, D. G.; Green, W. H. New Pathways for Formation of Acids and Carbonyl Products in Low-Temperature Oxidation: The Korcek Decomposition of γ-Ketohydroperoxides J. Am. Chem. Soc. 2013, 135, 11100-11114
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 11100-11114
-
-
Jalan, A.1
Alecu, I.M.2
Meana-Paneda, R.3
Aguilera-Iparraguirre, J.4
Yang, K.R.5
Merchant, S.S.6
Truhlar, D.G.7
Green, W.H.8
-
29
-
-
78651395808
-
Finding Reaction Pathways for Multicomponent Reactions: The Passerini Reaction is a Four-Component Reaction
-
Maeda, S.; Komagawa, S.; Uchiyama, M.; Morokuma, K. Finding Reaction Pathways for Multicomponent Reactions: The Passerini Reaction is a Four-Component Reaction Angew. Chem., Int. Ed. 2011, 50, 644-649
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 644-649
-
-
Maeda, S.1
Komagawa, S.2
Uchiyama, M.3
Morokuma, K.4
-
30
-
-
84871582944
-
Sulfuric Acid as Autocatalyst in the Formation of Sulfuric Acid
-
Torrent-Sucarrat, M.; Francisco, J. S.; Anglada, J. M. Sulfuric Acid as Autocatalyst in the Formation of Sulfuric Acid J. Am. Chem. Soc. 2012, 134, 20632-20644
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 20632-20644
-
-
Torrent-Sucarrat, M.1
Francisco, J.S.2
Anglada, J.M.3
-
31
-
-
67650140658
-
Single Particle Mass Spectrometry of Oxalic Acid in Ambient Aerosols in Shanghai: Mixing State and Formation Mechanism
-
Yang, F.; Chen, H.; Wang, X.; Yang, X.; Du, J.; Chen, J. Single Particle Mass Spectrometry of Oxalic Acid in Ambient Aerosols in Shanghai: Mixing State and Formation Mechanism Atmos. Environ. 2009, 43, 3876-3882
-
(2009)
Atmos. Environ.
, vol.43
, pp. 3876-3882
-
-
Yang, F.1
Chen, H.2
Wang, X.3
Yang, X.4
Du, J.5
Chen, J.6
-
32
-
-
0027799975
-
Distributions of low molecular weight dicarboxylic acids in the North Pacific aerosol samples
-
Kawamura, K.; Usukura, K. Distributions of Low Molecular Weight Dicarboxylic Acids in the North Pacific Aerosol Samples J. Oceanogr. 1993, 49, 271-283 (Pubitemid 24394125)
-
(1993)
Journal of Oceanography
, vol.49
, Issue.3
, pp. 271-283
-
-
Kawamura, K.1
Usukura, K.2
-
33
-
-
0028976511
-
Atmospheric Concentrations of Carboxylic Acids and Related Compounds at a Semiurban Site
-
Khwaja, H. A. Atmospheric Concentrations of Carboxylic Acids and Related Compounds at a Semiurban Site Atmos. Environ. 1995, 29, 127-139
-
(1995)
Atmos. Environ.
, vol.29
, pp. 127-139
-
-
Khwaja, H.A.1
-
34
-
-
63149140829
-
Efficient and Accurate Local Approximations to Coupled-Electron Pair Approaches: An Attempt to Revive the Pair Natural Orbital Method
-
Neese, F.; Wennmohs, N.; Hansen, A. Efficient and Accurate Local Approximations to Coupled-Electron Pair Approaches: An Attempt to Revive the Pair Natural Orbital Method J. Chem. Phys. 2009, 130, 114108
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 114108
-
-
Neese, F.1
Wennmohs, N.2
Hansen, A.3
-
35
-
-
80054712743
-
Protein-Ligand Interaction Energies with Dispersion Corrected Density Functional Theory and High-Level Wave Function Based Methods
-
Antony, J.; Grimme, S.; Liakos, D. G.; Neese, F. Protein-Ligand Interaction Energies with Dispersion Corrected Density Functional Theory and High-Level Wave Function Based Methods J. Phys. Chem. A 2011, 115, 11210
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 11210
-
-
Antony, J.1
Grimme, S.2
Liakos, D.G.3
Neese, F.4
-
36
-
-
77955309392
-
NWChem: A Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations
-
Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, K. P.; van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, W. A. NWChem: A Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations Comput. Phys. Commun. 2010, 181, 1477-1489
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477-1489
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, K.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
De Jong, W.A.11
-
37
-
-
79955425248
-
-
an ab initio, DFT, and semiempirical SCF-MO package developed by Bonn University: Germany, available online from
-
ORCA V2.8.0, an ab initio, DFT, and semiempirical SCF-MO package developed by Neese, F. Bonn University: Germany, 2010; available online from http://www.thch.uni-bonn.de/tc/orca/.
-
(2010)
ORCA V2.8.0
-
-
Neese, F.1
-
39
-
-
84888605257
-
Gas Phase Hydrolysis of Formaldehyde to Form Methandiol: Impact of Formic Acid Catalysis
-
Hazra, M. K.; Francisco, J. S.; Sinha, A. Gas Phase Hydrolysis of Formaldehyde to Form Methandiol: Impact of Formic Acid Catalysis J. Phys. Chem. A 2013, 117, 11704-11710
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 11704-11710
-
-
Hazra, M.K.1
Francisco, J.S.2
Sinha, A.3
-
40
-
-
4243664295
-
A Survey of Hammett Substitutent Constants and Resonance and Field Parameters
-
Hansch, C.; Leo, A.; Taft, R. W. A Survey of Hammett Substitutent Constants and Resonance and Field Parameters Chem. Rev. 1991, 91, 165-195
-
(1991)
Chem. Rev.
, vol.91
, pp. 165-195
-
-
Hansch, C.1
Leo, A.2
Taft, R.W.3
-
41
-
-
34347225592
-
Torsional Anharmonicity in Transition State Theory Calculations
-
See, for example: Sturdy, Y. K.; Clary, D. C. Torsional Anharmonicity in Transition State Theory Calculations Phys. Chem. Chem. Phys. 2007, 9, 2397-2405
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 2397-2405
-
-
Sturdy, Y.K.1
Clary, D.C.2
-
42
-
-
33845559118
-
Semiclassical Tunneling Calculations
-
Garrett, B. C.; Truhlar, D. G. Semiclassical Tunneling Calculations J. Phys. Chem. 1979, 83, 2921-2926
-
(1979)
J. Phys. Chem.
, vol.83
, pp. 2921-2926
-
-
Garrett, B.C.1
Truhlar, D.G.2
-
44
-
-
0033167882
-
Low Molecular Weight Carboxylic Acids in an Urban Atmosphere: Winter Measurements in Sao Paulo City, Brazil
-
Souza, S. R.; Vasconcellos, P. C.; Carvalho, L. R. F. Low Molecular Weight Carboxylic Acids in an Urban Atmosphere: Winter Measurements in Sao Paulo City, Brazil Atmos. Environ. 1999, 33, 2563-2574
-
(1999)
Atmos. Environ.
, vol.33
, pp. 2563-2574
-
-
Souza, S.R.1
Vasconcellos, P.C.2
Carvalho, L.R.F.3
|