Communication
On the Surprising Kinetic Stability of Carbonic Acid (H2CO3)
First published: 03 March 2000
Citations: 103
The work was supported in part by grants of the Austrian Academy of Sciences (T.L.) and the Austrian Science Fund (P13930‐PHY).
Abstract
A half‐life of 0.18 million years for dry H2CO3 at 300 K clearly demonstrates that carbonic acid is not unstable, as is erroneously taught in high school and in many classical textbooks. Thus, H2CO3 possibly exists in outer space. Nevertheless, proton transfer mediated by just two catalytic water molecules leads to a decomposition (scheme shows analogous reaction with one water molecule) which is nearly as quick as that in aqueous solution.
Citing Literature
Number of times cited according to CrossRef: 103
- Chirantan Pramanik, Swastika Chatterjee, Benjamin R. Fosu, Prosenjit Ghosh, Isotopic fractionation during acid digestion of calcite: A combined ab initio quantum chemical simulation and experimental study, Rapid Communications in Mass Spectrometry, 10.1002/rcm.8790, 34, 13, (2020).
- Han N. Huynh, V. Faye McNeill, Heterogeneous Chemistry of CaCO 3 Aerosols with HNO 3 and HCl , The Journal of Physical Chemistry A, 10.1021/acs.jpca.9b11691, (2020).
- Daniela Polino, Emanuele Grifoni, Roger Rousseau, Michele Parrinello, Vassiliki-Alexandra Glezakou, How Collective Phenomena Impact CO 2 Reactivity and Speciation in Different Media , The Journal of Physical Chemistry A, 10.1021/acs.jpca.9b11744, (2020).
- Siting Zhang, Qi Liu, Mao Tang, Yun Liu, Molecular-Level Mechanism of Phosphoric Acid Digestion of Carbonates and Recalibration of the 13 C– 18 O Clumped Isotope Thermometer , ACS Earth and Space Chemistry, 10.1021/acsearthspacechem.9b00307, (2020).
- Subhasish Mallick, Pradeep Kumar, Switching of the reaction enthalpy from exothermic to endothermic for decomposition of H 2 CO 3 under confinement , Physical Chemistry Chemical Physics, 10.1039/C9CP04587B, (2019).
- Daniel Aminov, Dina Pines, M. Kiefer Philip, Snehasis Daschakraborty, T. Hynes James, Ehud Pines, Can carbonic acid protonate biological bases? Support from base protonation in methanol solvent, EPJ Web of Conferences, 10.1051/epjconf/201920509005, 205, (09005), (2019).
- Andy D. Zapata–Escobar, Juliana Andrea Murillo–López, C. Z. Hadad, Albeiro Restrepo, Understanding the nature of bonding interactions in the carbonic acid dimers, Journal of Molecular Modeling, 10.1007/s00894-018-3907-1, 25, 1, (2019).
- Daniel Aminov, Dina Pines, Philip M. Kiefer, Snehasis Daschakraborty, James T. Hynes, Ehud Pines, Intact carbonic acid is a viable protonating agent for biological bases, Proceedings of the National Academy of Sciences, 10.1073/pnas.1909498116, (201909498), (2019).
- Nore Stolte, Ding Pan, Large Presence of Carbonic Acid in CO 2 -Rich Aqueous Fluids Under Earth's Mantle Conditions , The Journal of Physical Chemistry Letters, 10.1021/acs.jpclett.9b01919, (2019).
- Ying Zhang, Shengrui Tong, Maofa Ge, Bo Jing, Siqi Hou, Fang Tan, Yi Chen, Yucong Guo, Lingyan Wu, The influence of relative humidity on the heterogeneous oxidation of sulfur dioxide by ozone on calcium carbonate particles, Science of The Total Environment, 10.1016/j.scitotenv.2018.03.288, 633, (1253-1262), (2018).
- Guolin Xiong, Simin Zhu, Chunhong Yang, Weihua Zhu, Insight into interaction mechanisms of binary mixture systems of explosion products (H2O, CO2, and N2) at extreme high pressures and temperatures, Chemical Physics Letters, 10.1016/j.cplett.2018.10.081, (2018).
- Jan Balajka, Melissa A. Hines, William J. I. DeBenedetti, Mojmir Komora, Jiri Pavelec, Michael Schmid, Ulrike Diebold, High-affinity adsorption leads to molecularly ordered interfaces on TiO 2 in air and solution , Science, 10.1126/science.aat6752, 361, 6404, (786-789), (2018).
- Subhasish Mallick, Saptarshi Sarkar, Biman Bandyopadhyay, Pradeep Kumar, Effect of ammonia-water complex on decomposition of carbonic acid in troposphere: A quantum chemical investigation, Computational and Theoretical Chemistry, 10.1016/j.comptc.2018.04.005, 1132, (50-58), (2018).
- Evan H. Abramson, Olivier Bollengier, J. Michael Brown, Baptiste Journaux, Werner Kaminsky, Anna Pakhomova, Carbonic acid monohydrate, American Mineralogist, 10.2138/am-2018-6554, 103, 9, (1468-1472), (2018).
- Cheng Zhu, Robert Frigge, Andrew M. Turner, Ralf I. Kaiser, Bing-Jian Sun, Si-Ying Chen, Agnes H. H. Chang, First identification of unstable phosphino formic acid (H 2 PCOOH) , Chemical Communications, 10.1039/C8CC01391H, 54, 45, (5716-5719), (2018).
- Hongbo Wang, Janek Zeuschner, Mikhail Eremets, Ivan Troyan, Jonathan Willams, Stable solid and aqueous H2CO3 from CO2 and H2O at high pressure and high temperature, Scientific Reports, 10.1038/srep19902, 6, 1, (2016).
- J. Philipp Wagner, Hans Peter Reisenauer, Viivi Hirvonen, Chia-Hua Wu, Joseph L. Tyberg, Wesley D. Allen, Peter R. Schreiner, Tunnelling in carbonic acid, Chemical Communications, 10.1039/C6CC01756H, 52, 50, (7858-7861), (2016).
- José A. Laporte-Uribe, The role of dissolved carbon dioxide in both the decline in rumen pH and nutritional diseases in ruminants, Animal Feed Science and Technology, 10.1016/j.anifeedsci.2016.06.026, 219, (268-279), (2016).
- Biman Bandyopadhyay, Partha Biswas, Pradeep Kumar, Ammonia as an efficient catalyst for decomposition of carbonic acid: a quantum chemical investigation, Phys. Chem. Chem. Phys., 10.1039/C6CP02407F, 18, 23, (15995-16004), (2016).
- C. Thomas, V. Loodts, L. Rongy, A. De Wit, Convective dissolution of CO 2 in reactive alkaline solutions: Active role of spectator ions, International Journal of Greenhouse Gas Control, 10.1016/j.ijggc.2016.07.034, 53, (230-242), (2016).
- Bernard Denegri, Mirela Matić, Olga Kronja, The Role of Negative Hyperconjugation in Decomposition of Bicarbonate and Organic Carbonate Anions, ChemistrySelect, 10.1002/slct.201601357, 1, 16, (5250-5259), (2016).
- Sourav Ghoshal, Montu K. Hazra, H 2 CO 3 → CO 2 + H 2 O decomposition in the presence of H 2 O, HCOOH, CH 3 COOH, H 2 SO 4 and HO 2 radical: instability of the gas-phase H 2 CO 3 molecule in the troposphere and lower stratosphere , RSC Advances, 10.1039/C4RA13233E, 5, 23, (17623-17635), (2015).
- RENHU MA, GEORGE F. SCHUETTE, LINDA J. BROADBELT, Insights into the Relationship of Catalytic Activity and Structure: A Comparison Study of Three Carbonic Anhydrase Mimics, International Journal of Chemical Kinetics, 10.1002/kin.20879, 46, 11, (683-700), (2014).
- Mirza Galib, Gabriel Hanna, Molecular dynamics simulations predict an accelerated dissociation of H 2 CO 3 at the air–water interface , Phys. Chem. Chem. Phys., 10.1039/C4CP03302G, 16, 46, (25573-25582), (2014).
- Sourav Ghoshal, Montu K. Hazra, Autocatalytic Isomerizations of the Two Most Stable Conformers of Carbonic Acid in Vapor Phase: Double Hydrogen Transfer in Carbonic Acid Homodimers, The Journal of Physical Chemistry A, 10.1021/jp5024873, 118, 26, (4620-4630), (2014).
- Sandeep K. Reddy, Sundaram Balasubramanian, Carbonic acid: molecule, crystal and aqueous solution, Chem. Commun., 10.1039/C3CC45174G, 50, 5, (503-514), (2014).
- G. Bucher, W. Sander, Clarifying the structure of carbonic acid, Science, 10.1126/science.1260117, 346, 6209, (544-545), (2014).
- Manoj Kumar, Daryle H. Busch, Bala Subramaniam, Ward H. Thompson, Organic Acids Tunably Catalyze Carbonic Acid Decomposition, The Journal of Physical Chemistry A, 10.1021/jp5037469, 118, 27, (5020-5028), (2014).
- Mirza Galib, Gabriel Hanna, The Role of Hydrogen Bonding in the Decomposition of H 2 CO 3 in Water: Mechanistic Insights from Ab Initio Metadynamics Studies of Aqueous Clusters , The Journal of Physical Chemistry B, 10.1021/jp5029195, 118, 22, (5983-5993), (2014).
- Sourav Ghoshal, Montu K. Hazra, New Mechanism for Autocatalytic Decomposition of H 2 CO 3 in the Vapor Phase , The Journal of Physical Chemistry A, 10.1021/jp412239e, 118, 13, (2385-2392), (2014).
- Alexander Y. Samuilov, Faina B. Balabanova, Yakov D. Samuilov, Computational study of the reaction of dimethyl carbonate with methyl amine, Computational and Theoretical Chemistry, 10.1016/j.comptc.2014.09.010, 1049, (7-12), (2014).
- Hans Peter Reisenauer, J. Philipp Wagner, Peter R. Schreiner, Gas‐Phase Preparation of Carbonic Acid and Its Monomethyl Ester, Angewandte Chemie International Edition, 10.1002/anie.201406969, 53, 44, (11766-11771), (2014).
- Hans Peter Reisenauer, J. Philipp Wagner, Peter R. Schreiner, Gas‐Phase Preparation of Carbonic Acid and Its Monomethyl Ester, Angewandte Chemie, 10.1002/ange.201406969, 126, 44, (11960-11965), (2014).
- Ronald Kluger, Graeme W. Howe, Scott O.C. Mundle, Avoiding CO2 in Catalysis of Decarboxylation, , 10.1016/B978-0-12-407754-6.00002-8, (85-128), (2013).
- Peter Klaus Sawinski, Martin Meven, Ulli Englert, Richard Dronskowski, Single-Crystal Neutron Diffraction Study on Guanidine, CN 3 H 5 , Crystal Growth & Design, 10.1021/cg400054k, 13, 4, (1730-1735), (2013).
- Gayan Rubasinghege, Vicki H. Grassian, Role(s) of adsorbed water in the surface chemistry of environmental interfaces, Chemical Communications, 10.1039/c3cc38872g, 49, 30, (3071), (2013).
- T. R. Prosochkina, E. L. Artem’eva, E. A. Kantor, Computer simulation of interactions in the NH3-CO2-H2O system, Russian Journal of General Chemistry, 10.1134/S1070363213010027, 83, 1, (10-14), (2013).
- D.W. Stephan, Frustrated Lewis Pairs: Activation of H2 and Other Small Molecules, Comprehensive Inorganic Chemistry II, 10.1016/B978-0-08-097774-4.00136-4, (1069-1103), (2013).
- Jürgen Bernard, Roland G. Huber, Klaus R. Liedl, Hinrich Grothe, Thomas Loerting, Matrix Isolation Studies of Carbonic Acid—The Vapor Phase above the β-Polymorph, Journal of the American Chemical Society, 10.1021/ja4020925, 135, 20, (7732-7737), (2013).
- Margaret J. Smith, Sandra Müller, Wolfram Sander, Götz Bucher, Mechanisms of the thermal decay of chlorpropham, Journal of Hazardous Materials, 10.1016/j.jhazmat.2012.12.003, 246-247, (154-162), (2013).
- Sven A. Marothy, Autocatalytic decomposition of carbonic acid, International Journal of Quantum Chemistry, 10.1002/qua.24452, 113, 20, (2306-2311), (2013).
- JINXIA LIANG, BINJU WANG, ZEXING CAO, THE MECHANISM OF ACID-CATALYZED DECARBOXYLATION OF PYRROLE-2-CARBOXYLIC ACID: INSIGHTS FROM CLUSTER-CONTINUUM MODEL CALCULATIONS, Journal of Theoretical and Computational Chemistry, 10.1142/S021963361350017X, 12, 04, (1350017), (2013).
- Chiu‐Ling Lin, San‐Yan Chu, Comparative Study between Carbonic and Sulfurous Acids for Dissociation Reaction, Journal of the Chinese Chemical Society, 10.1002/jccs.200200111, 49, 5, (777-781), (2013).
- Binju Wang, Zexing Cao, How water molecules modulate the hydration of CO2 in water solution: Insight from the cluster‐continuum model calculations, Journal of Computational Chemistry, 10.1002/jcc.23144, 34, 5, (372-378), (2012).
- Claudimir L. do Lago, Denis T. R. Vidal, Marcelo R. Rossi, Guilherme M. Hotta, Eric T. da Costa, On the formation of carbonate adducts of fatty alcohols, sterols, and sugars in biological conditions, ELECTROPHORESIS, 10.1002/elps.201200080, 33, 14, (2102-2111), (2012).
- Juergen Bernard, Markus Seidl, Erwin Mayer, Thomas Loerting, Formation and Stability of Bulk Carbonic Acid (H2CO3) by Protonation of Tropospheric Calcite, ChemPhysChem, 10.1002/cphc.201200422, 13, 13, (3087-3091), (2012).
- Sandeep K. Reddy, Chidambar H. Kulkarni, Sundaram Balasubramanian, Vibrational Spectra of Linear Oligomers of Carbonic Acid: A Quantum Chemical Study, The Journal of Physical Chemistry A, 10.1021/jp209715x, 116, 6, (1638-1647), (2012).
- Grégoire A. Gallet, Fabio Pietrucci, Wanda Andreoni, Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO 2 Interacting with Water Molecules , Journal of Chemical Theory and Computation, 10.1021/ct300581n, 8, 11, (4029-4039), (2012).
- P. Jackson, A. Beste, M. I. Attalla, CO2 capture in aqueous ammonia solutions: a computational chemistry perspective, Physical Chemistry Chemical Physics, 10.1039/c2cp43459h, 14, 47, (16301), (2012).
- Magnus Wendeberg, Jürgen M. Richter, Michael Rothe, Willi A. Brand, δ18O anchoring to VPDB: calcite digestion with 18O‐adjusted ortho‐phosphoric acid, Rapid Communications in Mass Spectrometry, 10.1002/rcm.4933, 25, 7, (851-860), (2011).
- Denis Tadeu Rajh Vidal, Thiago Nogueira, Renata Mayumi Saito, Claudimir Lucio do Lago, Investigating the formation and the properties of monoalkyl carbonates in aqueous medium using capillary electrophoresis with capacitively coupled contactless conductivity detection, ELECTROPHORESIS, 10.1002/elps.201000624, 32, 8, (850-856), (2011).
- Dong Young Kim, Han Myoung Lee, Seung Kyu Min, Yeonchoo Cho, In-Chul Hwang, Kunwoo Han, Je Young Kim, Kwang S. Kim, CO 2 Capturing Mechanism in Aqueous Ammonia: NH 3 -Driven Decomposition−Recombination Pathway , The Journal of Physical Chemistry Letters, 10.1021/jz200095j, 2, 7, (689-694), (2011).
- Yu-Jong Wu, C.Y. Robert Wu, Mao-Chang Liang, Quantum chemical calculation on the potential energy surface of H2CO3 and its implication for martian chemistry, Icarus, 10.1016/j.icarus.2011.05.009, 214, 1, (228-235), (2011).
- Shinichi Yamabe, Nao Kawagishi, A computational study on the relationship between formation and electrolytic dissociation of carbonic acid, Theoretical Chemistry Accounts, 10.1007/s00214-011-0929-5, 130, 4-6, (909-918), (2011).
- Mirza Galib, Gabriel Hanna, Mechanistic Insights into the Dissociation and Decomposition of Carbonic Acid in Water via the Hydroxide Route: An Ab Initio Metadynamics Study, The Journal of Physical Chemistry B, 10.1021/jp207752m, 115, 50, (15024-15035), (2011).
- Christine A. Schwerdtfeger, David A. Mazziotti, Populations of Carbonic Acid Isomers at 210 K from a Fast Two-Electron Reduced-Density Matrix Theory, The Journal of Physical Chemistry A, 10.1021/jp2057805, 115, 43, (12011-12016), (2011).
- Jürgen Bernard, Markus Seidl, Ingrid Kohl, Klaus R. Liedl, Erwin Mayer, Óscar Gálvez, Hinrich Grothe, Thomas Loerting, Spectroscopic Observation of Matrix‐Isolated Carbonic Acid Trapped from the Gas Phase, Angewandte Chemie International Edition, 10.1002/anie.201004729, 50, 8, (1939-1943), (2010).
- Jürgen Bernard, Markus Seidl, Ingrid Kohl, Klaus R. Liedl, Erwin Mayer, Óscar Gálvez, Hinrich Grothe, Thomas Loerting, Spektroskopische Beobachtung von matrixisolierter Kohlensäure, abgeschieden aus der Gasphase, Angewandte Chemie, 10.1002/ange.201004729, 123, 8, (1981-1985), (2010).
- Götz Bucher, Ester Pyrolysis of Carbonates: Bis(benzene hydrate) Carbonate as Potential Precursor for Monomeric Carbonic Acid, European Journal of Organic Chemistry, 10.1002/ejoc.200901212, 2010, 6, (1070-1075), (2010).
- Thomas Loerting, Juergen Bernard, Aqueous Carbonic Acid (H2CO3), ChemPhysChem, 10.1002/cphc.201000220, 11, 11, (2305-2309), (2010).
- Z. Peeters, R.L. Hudson, M.H. Moore, Ariel Lewis, The formation and stability of carbonic acid on outer Solar System bodies, Icarus, 10.1016/j.icarus.2010.06.002, 210, 1, (480-487), (2010).
- Juliana Murillo, Jorge David, Albeiro Restrepo, Insights into the structure and stability of the carbonic acid dimer, Physical Chemistry Chemical Physics, 10.1039/c003520c, 12, 36, (10963), (2010).
- Scott O. C. Mundle, Georges Lacrampe-Couloume, Barbara Sherwood Lollar, Ronald Kluger, Hydrolytic Decarboxylation of Carboxylic Acids and the Formation of Protonated Carbonic Acid, Journal of the American Chemical Society, 10.1021/ja910608m, 132, 7, (2430-2436), (2010).
- Katrin Adamczyk, Mirabelle Prémont-Schwarz, Dina Pines, Ehud Pines, Erik T. J. Nibbering, undefined, International Conference on Ultrafast Phenomena, 10.1364/UP.2010.TuD5, (TuD5), (2010).
- Douglas W. Stephan, Gerhard Erker, Frustrated Lewis Pairs: Metal‐free Hydrogen Activation and More, Angewandte Chemie International Edition, 10.1002/anie.200903708, 49, 1, (46-76), (2009).
- Douglas W. Stephan, Gerhard Erker, Frustrierte Lewis‐Paare: metallfreie Wasserstoffaktivierung und mehr, Angewandte Chemie, 10.1002/ange.200903708, 122, 1, (50-81), (2009).
- Barbara Chiavarino, Maria Elisa Crestoni, Simonetta Fornarini, Francesco Lanucara, Joel Lemaire, Philippe Maitre, Mid‐IR Spectroscopy and Structural Features of Protonated Carbonic Acid in the Gas Phase, ChemPhysChem, 10.1002/cphc.200800795, 10, 3, (520-522), (2009).
- Cornelia M. Mömming, Edwin Otten, Gerald Kehr, Roland Fröhlich, Stefan Grimme, Douglas W. Stephan, Gerhard Erker, Reversible Metal‐Free Carbon Dioxide Binding by Frustrated Lewis Pairs, Angewandte Chemie International Edition, 10.1002/anie.200901636, 48, 36, (6643-6646), (2009).
- Ingrid Kohl, Katrin Winkel, Marion Bauer, Klaus R. Liedl, Thomas Loerting, Erwin Mayer, Raman Spectroscopic Study of the Phase Transition of Amorphous to Crystalline β‐Carbonic Acid, Angewandte Chemie International Edition, 10.1002/anie.200805300, 48, 15, (2690-2694), (2009).
- Cornelia M. Mömming, Edwin Otten, Gerald Kehr, Roland Fröhlich, Stefan Grimme, Douglas W. Stephan, Gerhard Erker, Reversible, nicht metallunterstützte Bindung von Kohlendioxid durch frustrierte Lewis‐Paare, Angewandte Chemie, 10.1002/ange.200901636, 121, 36, (6770-6773), (2009).
- Ingrid Kohl, Katrin Winkel, Marion Bauer, Klaus R. Liedl, Thomas Loerting, Erwin Mayer, Raman‐spektroskopische Studie der Phasenumwandlung von amorpher in kristalline β‐Kohlensäure, Angewandte Chemie, 10.1002/ange.200805300, 121, 15, (2728-2732), (2009).
- Weifu Guo, Jed L. Mosenfelder, William A. Goddard, John M. Eiler, Isotopic fractionations associated with phosphoric acid digestion of carbonate minerals: Insights from first-principles theoretical modeling and clumped isotope measurements, Geochimica et Cosmochimica Acta, 10.1016/j.gca.2009.05.071, 73, 24, (7203-7225), (2009).
- K. Adamczyk, M. Premont-Schwarz, D. Pines, E. Pines, E. T. J. Nibbering, Real-Time Observation of Carbonic Acid Formation in Aqueous Solution, Science, 10.1126/science.1180060, 326, 5960, (1690-1694), (2009).
- Young-Kwang Kim, Seong-Chan Park, Jung-Hwan Kim, Chun-Woo Lee, Heon Kang, Interaction of Carbon Dioxide and Hydroxide Ion at the Surface of Ice Films, The Journal of Physical Chemistry C, 10.1021/jp806643e, 112, 46, (18104-18109), (2008).
- Horia‐Sorin Andrei, Sergey A. Nizkorodov, Otto Dopfer, IR Spectra of Protonated Carbonic Acid and Its Isomeric H3O+⋅CO2 Complex, Angewandte Chemie International Edition, 10.1002/anie.200700750, 46, 25, (4754-4756), (2007).
- Horia‐Sorin Andrei, Sergey A. Nizkorodov, Otto Dopfer, IR Spectra of Protonated Carbonic Acid and Its Isomeric H3O+⋅CO2 Complex, Angewandte Chemie, 10.1002/ange.200700750, 119, 25, (4838-4840), (2007).
- Yimin Li, Xiaoqing Zeng, Qiao Sun, Haiyang Li, Maofa Ge, Dianxun Wang, Electronic structure of H2CS3 and H2CS4: An experimental and theoretical study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2006.06.016, 66, 4-5, (1261-1266), (2007).
- L. Gracia, J. Andrés, A. Beltrán, J.R. Sambrano, DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O, Chemical Physics Letters, 10.1016/j.cplett.2006.06.096, 427, 4-6, (265-270), (2006).
- Mariefel B. Valenzuela, Christopher W. Jones, Pradeep K. Agrawal, Batch Aqueous-Phase Reforming of Woody Biomass, Energy & Fuels, 10.1021/ef060113p, 20, 4, (1744-1752), (2006).
- Sun Qiao, Li Zhen, Zeng Xiao‐Qing, Ge Mao‐Fa, Wang Dian‐Xu, Theoretical Study on the Coupling Mode of BrOH2O and HOBrH2O Complexes, Chinese Journal of Chemistry, 10.1002/cjoc.200590483, 23, 5, (483-490), (2005).
- A. Korobov, Simple Chemical Reactions in the Solid State: Towards Elaborating a Conception, Foundations of Chemistry, 10.1007/s10698-005-7326-x, 7, 3, (307-314), (2005).
- H. A. Al-Hosney, V. H. Grassian, Water, sulfur dioxide and nitric acid adsorption on calcium carbonate: A transmission and ATR-FTIR study, Physical Chemistry Chemical Physics, 10.1039/b417872f, 7, 6, (1266), (2005).
- C. F. Wilcox †, S. H. Bauer, Parametric representation of the low-energy portion of the water–carbon dioxide G3(MP2)//B3LYP electronic energy surface. Variations on the theme developed by Professor B. Widom in his PhD dissertation, Molecular Physics, 10.1080/00268970500093902, 103, 21-23, (2829-2837), (2005).
- Hashim A. Al-Hosney, Sofia Carlos-Cuellar, Jonas Baltrusaitis, Vicki H. Grassian, Heterogeneous uptake and reactivity of formic acid on calcium carbonate particles: a Knudsen cell reactor, FTIR and SEM study, Physical Chemistry Chemical Physics, 10.1039/b510112c, 7, 20, (3587), (2005).
- Klaus‐Peter Zeller, Paul Schuler, Peter Haiss, The Hidden Equilibrium in Aqueous Sodium Carbonate Solutions − Evidence for the Formation of the Dicarbonate Anion, European Journal of Inorganic Chemistry, 10.1002/ejic.200400445, 2005, 1, (168-172), (2004).
- Konrad Koszinowski, Detlef Schröder, Helmut Schwarz, Reactions of mass-selected Fen+ cluster ions (n=1–5) with dimethyl carbonate, Inorganica Chimica Acta, 10.1016/j.ica.2004.01.037, 357, 6, (1881-1885), (2004).
- J.R Sambrano, J Andrés, L Gracia, V.S Safont, A Beltrán, DFT study of the water-assisted tautomerization process between hydrated oxide, MO(H2O)+, and dihydroxide, M(OH)2+, cations (M=V, Nb and Ta), Chemical Physics Letters, 10.1016/j.cplett.2003.11.093, 384, 1-3, (56-62), (2004).
- JOHN BURGESS, COLIN D. HUBBARD, LIGAND SUBSTITUTION REACTIONS, Solvent Exchange on Metal Ions, 10.1016/S0898-8838(03)54002-8, (71-155), (2003).
- Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Peter Kaps, Klaus R. Liedl, Extended method for adiabatic mode reordering, Journal of Computational Chemistry, 10.1002/jcc.10185, 24, 3, (386-395), (2003).
- J. Peter Guthrie, No‐Barrier Theory: Calculating Rates of Chemical Reactions from Equilibrium Constants and Distortion Energies, ChemPhysChem, 10.1002/cphc.200200327, 4, 8, (809-816), (2003).
- Detlef Schröder, Helmut Schwarz, Stephan Schenk, Ernst Anders, A Gas‐Phase Reaction as a Functional Model for the Activation of Carbon Dioxide by Carbonic Anhydrase, Angewandte Chemie International Edition, 10.1002/anie.200351440, 42, 41, (5087-5090), (2003).
- Detlef Schröder, Helmut Schwarz, Stephan Schenk, Ernst Anders, Eine Gasphasenreaktion als funktionales Modell der Aktivierung von Kohlendioxid durch die Carboanhydrase, Angewandte Chemie, 10.1002/ange.200351440, 115, 41, (5241-5244), (2003).
- Christofer S. Tautermann, Andreas F. Voegele, Klaus R. Liedl, The ground state tunneling splitting of the 2-pyridone2-hydroxypyridine dimer, Chemical Physics, 10.1016/S0301-0104(03)00254-4, 292, 1, (47-52), (2003).
- Christina M. Standfest‐Hauser, Kurt Mereiter, Roland Schmid, Karl Kirchner, Formation of Ruthenium−Aminocarbene Complexes from Aldimines and Aminals, European Journal of Inorganic Chemistry, 10.1002/ejic.200200695, 2003, 10, (1883-1892), (2003).
- Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl, About the Stability of Sulfurous Acid (H2SO3) and Its Dimer, Chemistry – A European Journal, 10.1002/1521-3765(20021216)8:24<5644::AID-CHEM5644>3.0.CO;2-9, 8, 24, (5644-5651), (2002).
- J.Peter Guthrie, Uncatalyzed and Amine Catalyzed Decarboxylation of Acetoacetic Acid: An Examination in Terms of No Barrier Theory, Bioorganic Chemistry, 10.1006/bioo.2001.1231, 30, 1, (32-52), (2002).
- Christofer S. Tautermann, Andreas F. Voegele, Thomas Loerting, Ingrid Kohl, Andreas Hallbrucker, Erwin Mayer, Klaus R. Liedl, Towards the Experimental Decomposition Rate of Carbonic Acid (H2CO3) in Aqueous Solution, Chemistry – A European Journal, 10.1002/1521-3765(20020104)8:1<66::AID-CHEM66>3.0.CO;2-F, 8, 1, (66-73), (2001).
- Ramon Crehuet, Josep M. Anglada, Josep M. Bofill, Tropospheric Formation of Hydroxymethyl Hydroperoxide, Formic Acid, H2O2, and OH from Carbonyl Oxide in the Presence of Water Vapor: A Theoretical Study of the Reaction Mechanism, Chemistry – A European Journal, 10.1002/1521-3765(20010518)7:10<2227::AID-CHEM2227>3.0.CO;2-O, 7, 10, (2227-2235), (2001).
- Thomas Loerting, Klaus R. Liedl, The Reaction Rate Constant of Chlorine Nitrate Hydrolysis, Chemistry – A European Journal, 10.1002/1521-3765(20010417)7:8<1662::AID-CHEM16620>3.0.CO;2-P, 7, 8, (1662-1669), (2001).
- Michael Mauksch, Michael Bräuer, Jennie Weston, Ernst Anders, New Insights into the Mechanistic Details of the Carbonic Anhydrase Cycle as Derived from the Model System [(NH3)3Zn(OH)]+/CO2: How does the H2O/HCO3− Replacement Step Occur?, ChemBioChem, 10.1002/1439-7633(20010302)2:3<190::AID-CBIC190>3.0.CO;2-7, 2, 3, (190-198), (2001).
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