Ab Initio Molecular Dynamics Simulation of Divalent Metal Cation Incorporation in Calcite: Implications for Interpreting X‑ray Absorption Spectroscopy Data (Unknown)
- New search for: Kerisit, Sebastien N.
- Further information on Kerisit, Sebastien N.:
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https://orcid.org/0000-0002-7470-9181
- New search for: Prange, Micah P.
- New search for: Kerisit, Sebastien N.
- Further information on Kerisit, Sebastien N.:
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https://orcid.org/0000-0002-7470-9181
- New search for: Prange, Micah P.
In:
ACS Earth and Space Chemistry
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3
, 11
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2582-2592
;
2019
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Ab Initio Molecular Dynamics Simulation of Divalent Metal Cation Incorporation in Calcite: Implications for Interpreting X‑ray Absorption Spectroscopy Data
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Additional title:ACS Earth Space Chem.
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Contributors:Kerisit, Sebastien N. ( author ) / Prange, Micah P. ( author )
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Published in:ACS Earth and Space Chemistry ; 3, 11 ; 2582-2592
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Publisher:
- New search for: American Chemical Society
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Publication date:2019-11-21
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 3, Issue 11
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2372
-
Virtual Issue on Astrochemistry: From the Chemical Laboratory to the Stars| 2019
- 2374
-
Iron Redox Chemistry and Its Environmental Impact: A Virtual Special IssueHu, Yandi / Li, Fangbai / Liu, Chongxuan / Rosso, Kevin / Shi, Zhenqing et al. | 2019
- 2376
-
Electron-Induced Excitation, Recombination, and Dissociation of Molecular Ions Initiating the Formation of Complex Organic MoleculesMezei, Zsolt J. / Chakrabarti, Kalyan / Epée Epée, Michel Douglas / Motapon, Ousmanou / Yuen, Chi Hong / Ayouz, Mehdi A. / Douguet, Nicolas / Fonseca dos Santos, Samantha / Kokoouline, Viatcheslav / Schneider, Ioan F. et al. | 2019
- 2390
-
Structure and Properties of Nanosilicates with Olivine (Mg2SiO4) N and Pyroxene (MgSiO3) N CompositionsEscatllar, Antoni Macià / Lazaukas, Tomas / Woodley, Scott M. / Bromley, Stefan T. et al. | 2019
- 2404
-
Atmospheric Processes of Aromatic Hydrocarbons in the Presence of Mineral Dust Particles in an Urban EnvironmentYu, Zechen / Jang, Myoseon et al. | 2019
- 2415
-
Time-Dependent Iodate and Iodide Adsorption to Fe OxidesWang, Guohui / Qafoku, Nikolla P. / Szecsody, James E. / Strickland, Christopher E. / Brown, Christopher F. / Freedman, Vicky L. et al. | 2019
- 2421
-
Effect of Acidic Conditions on Surface Properties and Metal Binding Capacity of Clay MineralsHao, Weiduo / Pudasainee, Deepak / Gupta, Rajender / Kashiwabara, Teruhiko / Alessi, Daniel S. / Konhauser, Kurt O. et al. | 2019
- 2430
-
Photochemistry of Ozone–Water IcesJohnson, Paul V. / Markus, Charles R. / Hodyss, Robert et al. | 2019
- 2437
-
Plutonium(IV) Sorption during Ferrihydrite Nanoparticle FormationSmith, Kurt F. / Morris, Katherine / Law, Gareth T. W. / Winstanley, Ellen H. / Livens, Francis R. / Weatherill, Joshua S. / Abrahamsen-Mills, Liam G. / Bryan, Nicholas D. / Mosselmans, J. Frederick W. / Cibin, Giannantonio et al. | 2019
- 2443
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Relationship between Atmospheric Aerosol Mineral Surface Area and Iron SolubilityMcDaniel, Mary Francis M. / Ingall, Ellery D. / Morton, Peter L. / Griffith, Erin K. / Weber, Rodney J. / Shelley, Rachel U. / Landing, William M. / Longo, Amelia F. / Feng, Yan / Lai, Barry et al. | 2019
- 2452
-
Near-Explicit Multiphase Modeling of Halogen Chemistry in a Mixed Urban and Maritime Coastal AreaHoffmann, Erik H. / Tilgner, Andreas / Vogelsberg, Ulrike / Wolke, Ralf / Herrmann, Hartmut et al. | 2019
- 2472
-
Heterocyclic Product Formation in Aqueous Brown Carbon SystemsGrace, Daisy N. / Sharp, Jacqueline R. / Holappa, Rachael E. / Lugos, Emily N. / Sebold, Melissa B. / Griffith, Daniel R. / Hendrickson, Heidi P. / Galloway, Melissa M. et al. | 2019
- 2482
-
Imaging the Pore Structure in Geomaterials Using Rhodamine B Covalently Decorated Magnetic NanoparticlesZhong, Ting / Liao, Peng / Chen, Qian-xia / Li, Na / Deng, Hu-cheng / Liu, Qi-jun / Luo, Yu-lan / Lan, Hao-xiang / Li, Chong-ying et al. | 2019
- 2490
-
Deconvolution of Smectite Hydration IsothermsLindholm, Jerry / Boily, Jean-François / Holmboe, Michael et al. | 2019
- 2499
-
Occurrence and Origins of Thiols in Deep Strata Crude Oils, Tarim Basin, ChinaZhu, Guangyou / Wang, Ping / Wang, Meng / Zhang, Zhiyao / Shi, Quan et al. | 2019
- 2510
-
Atmospheric Oxidation of Piperazine Initiated by OH: A Theoretical Kinetics InvestigationRen, Zhonghua / da Silva, Gabriel et al. | 2019
- 2517
-
A High-Pressure Compound of Argon and Nickel: Noble Gas in the Earth’s Core?Adeleke, Adebayo A. / Kunz, Martin / Greenberg, Eran / Prakapenka, Vitali B. / Yao, Yansun / Stavrou, Elissaios et al. | 2019
- 2525
-
Enhanced Immobilization of Arsenic from Acid Mine Drainage by Detrital Clay MineralsLefticariu, Liliana / Sutton, Stephen R. / Lanzirotti, Antonio / Flynn, Theodore M. et al. | 2019
- 2539
-
Saccharide Transfer to Sea Spray Aerosol Enhanced by Surface Activity, Calcium, and Protein InteractionsHasenecz, Elias S. / Kaluarachchi, Chathuri P. / Lee, Hansol D. / Tivanski, Alexei V. / Stone, Elizabeth A. et al. | 2019
- 2549
-
Compositional Evolution of Secondary Organic Aerosol as Temperature and Relative Humidity Cycle in Atmospherically Relevant RangesZhao, Zixu / Le, Chen / Xu, Qi / Peng, Weihan / Jiang, Huanhuan / Lin, Ying-Hsuan / Cocker, David R. / Zhang, Haofei et al. | 2019
- 2559
-
Peptide Synthesis under the Alkaline Hydrothermal Conditions on EnceladusTakahagi, Wataru / Seo, Kaito / Shibuya, Takazo / Takano, Yoshinori / Fujishima, Kosuke / Saitoh, Masafumi / Shimamura, Shigeru / Matsui, Yohei / Tomita, Masaru / Takai, Ken et al. | 2019
- 2569
-
Modeling Binary Mixtures of Water + Light Hydrocarbon Using the Perturbed-Chain Statistical Associating Fluid Theory with Induced Association: Improvement in Describing All Equilibrium PhasesTan, Sugata P. / Kargel, Jeffrey S. / Vance, Steven D. / Lopes, Rosaly M. et al. | 2019
- 2582
-
Ab Initio Molecular Dynamics Simulation of Divalent Metal Cation Incorporation in Calcite: Implications for Interpreting X‑ray Absorption Spectroscopy DataKerisit, Sebastien N. / Prange, Micah P. et al. | 2019
- 2593
-
Galena Oxidation in Oxygen-Bearing Acidic SolutionsChiriţă, Paul et al. | 2019
- 2601
-
Ab Initio Calculation of Equilibrium Isotopic Fractionations of Potassium and Rubidium in Minerals and WaterZeng, Hao / Rozsa, Viktor F. / Nie, Nicole Xike / Zhang, Zhe / Pham, Tuan Anh / Galli, Giulia / Dauphas, Nicolas et al. | 2019
- 2613
-
The Role of pH, Temperature, and NH4 + during Mica WeatheringLamarca-Irisarri, Daniel / Van Driessche, Alexander E. S. / Jordan, Guntram / Cappelli, Chiara / Huertas, F. Javier et al. | 2019
- 2623
-
Manganese Oxide Catalyzed Hydrolysis of PolyphosphatesWan, Biao / Huang, Rixiang / Diaz, Julia M. / Tang, Yuanzhi et al. | 2019
- 2635
-
Layer Charge Effects on Adsorption and Diffusion of Water and Ions in Interlayers and on External Surfaces of MontmorilloniteYang, Yafan / Narayanan Nair, Arun Kumar / Sun, Shuyu et al. | 2019