Search Results - "Sahan, K."

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

“…The heats of formation of the carbonate, bicarbonate, and bicarbonate/hydroxide metal complexes, including hydrates of Mg2+, Ca2+, Fe2+, and Cd2+, and the…”
Get full text

Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations by Fang, Zongtang, Thanthiriwatte, K. Sahan, Dixon, David A, Andrews, Lester, Wang, Xuefeng

“…Reactions of laser ablated cerium atoms with hydrogen peroxide or hydrogen and oxygen mixtures diluted in argon and condensed at 4 K produced the Ce­(OH)3 and…”
Get full text

Infrared Spectra of H2ThS and H2US in Noble Gas Matrixes: Enhanced H‑An‑S Covalent Bonding by Wang, Xuefeng, Andrews, Lester, Thanthiriwatte, K. Sahan, Dixon, David A

“…Laser-ablated thorium and uranium atoms have been co-deposited at 4 K with hydrogen sulfide in excess noble gas matrixes. The major dihydride sulfide reaction…”
Get full text

Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium by Thanthiriwatte, K. Sahan, Vasiliu, Monica, Battey, Samuel R, Lu, Qing, Peterson, Kirk A, Andrews, Lester, Dixon, David A

“…Structures, vibrational frequencies, and heats of formation were predicted for MX4 and both singlet and triplet states of MX2 (M = group 4, group 14, Ce, and…”
Get full text

Thorium and Uranium Hydride Phosphorus and Arsenic Bearing Molecules with Single and Double Actinide-Pnictogen and Bridged Agostic Hydrogen Bonds by Andrews, Lester, Cho, Han-Gook, Thanthiriwatte, K. Sahan, Dixon, David A

“…Thorium atoms from laser ablation react with phosphine during condensation in excess argon to produce two new infrared absorptions at 1467.2 and 1436.6 cm–1…”
Get full text

Reaction of Laser-Ablated Uranium and Thorium Atoms with H2Se: A Rare Example of Selenium Multiple Bonding by Vent-Schmidt, Thomas, Andrews, Lester, Thanthiriwatte, K. Sahan, Dixon, David A, Riedel, Sebastian

“…The compounds H2ThSe and H2USe were synthesized by the reaction of laser-ablated actinide metal atoms with H2Se under cryogenic conditions following the…”
Get full text

Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon by Wei, Rui, Li, Qingnuan, Gong, Yu, Andrews, Lester, Fang, Zongtang, Thanthiriwatte, K. Sahan, Vasiliu, Monica, Dixon, David A

“…Group 6 metal oxide fluoride molecules in the form of OMF2 and OMF (M = Cr, Mo, W) were prepared via the reactions of laser-ablated metal atoms and OF2 in…”
Get full text

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States by Wang, Xuefeng, Andrews, Lester, Fang, Zongtang, Thanthiriwatte, K. Sahan, Chen, Mingyang, Dixon, David A

“…The reactions of laser-ablated lanthanide metal atoms with hydrogen peroxide or hydrogen plus oxygen mixtures have been studied experimentally in a solid argon…”
Get full text

Thorium Fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5 – Characterized by Infrared Spectra in Solid Argon and Electronic Structure and Vibrational Frequency Calculations by Andrews, Lester, Thanthiriwatte, K. Sahan, Wang, Xuefeng, Dixon, David A

“…Reactions of laser-ablated Th atoms with F2 produce ThF4 as the major product based on agreement with matrix spectra recorded of the vapor from the solid at…”
Get full text

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2 by Schaef, Herbert T, Loganathan, Narasimhan, Bowers, Geoffrey M, Kirkpatrick, R. James, Yazaydin, A. Ozgur, Burton, Sarah D, Hoyt, David W, Thanthiriwatte, K. Sahan, Dixon, David A, McGrail, B. Peter, Rosso, Kevin M, Ilton, Eugene S, Loring, John S

“…Layered aluminosilicates play a dominant role in the mechanical and gas storage properties of the subsurface, are used in diverse industrial applications, and…”
Get full text

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H 2 O 2 and H 2 + O 2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States by Wang, Xuefeng, Andrews, Lester, Fang, Zongtang, Thanthiriwatte, K Sahan, Chen, Mingyang, Dixon, David A

“…The reactions of laser-ablated lanthanide metal atoms with hydrogen peroxide or hydrogen plus oxygen mixtures have been studied experimentally in a solid argon…”
Get full text

Infrared Spectroscopic and Theoretical Studies on the OMF 2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon by Wei, Rui, Li, Qingnuan, Gong, Yu, Andrews, Lester, Fang, Zongtang, Thanthiriwatte, K Sahan, Vasiliu, Monica, Dixon, David A

“…Group 6 metal oxide fluoride molecules in the form of OMF and OMF (M = Cr, Mo, W) were prepared via the reactions of laser-ablated metal atoms and OF in excess…”
Get full text

Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers by Finney, Brian, Thanthiriwatte, K. Sahan, Francisco, Joseph S, Dixon, David A

“…Correlated molecular orbital theory at the coupled cluster CCSD­(T) level with augmented correlation consistent basis sets including F12 explicit correlation…”
Get full text

Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands by Gong, Yu, Andrews, Lester, Bauschlicher, Jr, Charles W, Thanthiriwatte, K Sahan, Dixon, David A

“…The isolated group 4 metal oxydifluoride molecules OMF(2) (M = Ti, Zr, Hf) with terminal oxo groups are produced specifically on the spontaneous reactions of…”
Get more information

In Situ Natural Abundance 17O and 25Mg NMR Investigation of Aqueous Mg(OH)2 Dissolution in the Presence of Supercritical CO2 by 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

“…We report an in situ high-pressure NMR capability that permits natural abundance 17O and 25Mg NMR characterization of dissolved species in aqueous solution and…”
Get full text

In Situ Natural Abundance 17 O and 25 Mg NMR Investigation of Aqueous Mg(OH) 2 Dissolution in the Presence of Supercritical CO 2 by 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

“…We report an in situ high-pressure NMR capability that permits natural abundance O and Mg NMR characterization of dissolved species in aqueous solution and in…”
Get full text

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO 2 by Schaef, Herbert T, Loganathan, Narasimhan, Bowers, Geoffrey M, Kirkpatrick, R James, Yazaydin, A Ozgur, Burton, Sarah D, Hoyt, David W, Thanthiriwatte, K Sahan, Dixon, David A, McGrail, B Peter, Rosso, Kevin M, Ilton, Eugene S, Loring, John S

“…Layered aluminosilicates play a dominant role in the mechanical and gas storage properties of the subsurface, are used in diverse industrial applications, and…”
Get full text

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

“…Electronic structure calculations at the correlated molecular orbital theory and density functional theory levels have been used to generate a reliable set of…”
Get full text

Structures and Stabilities of (CaO) n Nanoclusters by Chen, Mingyang, Thanthiriwatte, K. Sahan, Dixon, David A

“…The global energy minima structures for (CaO) n for n ≤ 40 were predicted using density functional theory. The cubic structures are found to be the lowest…”
Get full text

Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films by Miller, Quin R. S, Dixon, David A, Burton, Sarah D, Walter, Eric D, Hoyt, David W, McNeill, Ashley S, Moon, Joshua D, Thanthiriwatte, K. Sahan, Ilton, Eugene S, Qafoku, Odeta, Thompson, Christopher J, Schaef, Herbert T, Rosso, Kevin M, Loring, John S

“…Properties of nanoconfined adsorbed H2O on mineral surfaces are distinct from those of bulk H2O, and this can lead to significant differences in reactivity…”
Get full text