Prediction of the pKa's of aqueous metal ion +2 complexes von Jackson, Virgil E, Felmy, Andrew R, Dixon, David A

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Fundamental Thermochemical Properties of Amino Acids: Gas-Phase and Aqueous Acidities and Gas-Phase Heats of Formation von Stover, Michele L, Jackson, Virgil E, Matus, Myrna H, Adams, Margaret A, Cassady, Carolyn J, Dixon, David A

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Quantum-Chemical Calculations of Carbon-Isotope Fractionation in CO2(g), Aqueous Carbonate Species, and Carbonate Minerals von Rustad, James R, Nelmes, Sierra L, Jackson, Virgil E, Dixon, David A

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Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics von Hu, Yiqin, Vasiliu, Monica, Thanthiriwatte, K. Sahan, Jackson, Virgil E, Chaka, Anne M, Dixon, David A

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Structures and Energetics of (MgCO3) n Clusters (n ≤ 16) von Chen, Mingyang, Jackson, Virgil E, Felmy, Andrew R, Dixon, David A

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Density Functional Theory Study of the Complexation of the Uranyl Dication with Anionic Phosphate Ligands with and without Water Molecules von Jackson, Virgil E, Gutowski, Keith E, Dixon, David A

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Matrix infrared spectra and theoretical studies of thorium oxide species: ThOx and Th2Oy von Andrews, Lester, Gong, Yu, Liang, Binyong, Jackson, Virgil E, Flamerich, Ryan, Li, Shenggang, Dixon, David A

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Mechanism of the Hydration of Carbon Dioxide: Direct Participation of H2O versus Microsolvation von Nguyen, Minh Tho, Matus, Myrna H, Jackson, Virgil E, Ngan, Vu Thi, Rustad, James R, Dixon, David A

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Direct fluorination of tetrafluoroethylene at low temperatures von Confer, Matthew P., Allayarov, Sadulla R., Kim, Ida P., Markin, I.V., Jackson, Virgil E., Dixon, David A.

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Methane to Methanol Conversion Induced by Thorium Oxide through the CH3Th(O)H Intermediate in Solid Argon von Gong, Yu, Andrews, Lester, Jackson, Virgil E, Dixon, David A

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In Situ Natural Abundance 17O and 25Mg NMR Investigation of Aqueous Mg(OH)2 Dissolution in the Presence of Supercritical CO2 von Hu, Mary Y, Deng, Xuchu, Thanthiriwatte, K. Sahan, Jackson, Virgil E, Wan, Chuan, Qafoku, Odeta, Dixon, David A, Felmy, Andrew R, Rosso, Kevin M, Hu, Jian Zhi

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In Situ Natural Abundance 17 O and 25 Mg NMR Investigation of Aqueous Mg(OH) 2 Dissolution in the Presence of Supercritical CO 2 von Hu, Mary Y, Deng, Xuchu, Thanthiriwatte, K Sahan, Jackson, Virgil E, Wan, Chuan, Qafoku, Odeta, Dixon, David A, Felmy, Andrew R, Rosso, Kevin M, Hu, Jian Zhi

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Thermochemical Properties of Selenium Fluorides, Oxides, and Oxofluorides von Jackson, Virgil E, Dixon, David A, Christe, Karl O

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High-Level Ab Initio Predictions of the Energetics of mCO2·(H2O) n (n = 1–3, m = 1–12) Clusters von Thanthiriwatte, K. Sahan, Duke, Jessica R, Jackson, Virgil E, Felmy, Andrew R, Dixon, David A

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Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level von Jackson, Virgil E, Craciun, Raluca, Dixon, David A, Peterson, Kirk A, de Jong, Wibe A

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Prediction of Vibrational Frequencies of UO22+ at the CCSD(T) Level von JACKSON, Virgil E., CRACIUN, Raluca, DIXON, David A., PETERSON, Kirk A., DE JONG, Wibe A.

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Calculation of boron-isotope fractionation between B(OH)3(aq) and von Rustad, James R., Bylaska, Eric J., Jackson, Virgil E., Dixon, David A.

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Isotopic fractionation of Mg2+(aq), Ca2+(aq), and Fe2+(aq) with carbonate minerals von Rustad, James R., Casey, William H., Yin, Qing-Zhu, Bylaska, Eric J., Felmy, Andrew R., Bogatko, Stuart A., Jackson, Virgil E., Dixon, David A.

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Quantum-Chemical Calculations of Carbon-Isotope Fractionation in CO 2 (g), Aqueous Carbonate Species, and Carbonate Minerals von Rustad, James R., Nelmes, Sierra L., Jackson, Virgil E., Dixon, David A.

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Prediction of the p K a ’s of Aqueous Metal Ion +2 Complexes von Jackson, Virgil E., Felmy, Andrew R., Dixon, David A.

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