Kaolinite:Dimethylsulfoxide IntercalateA Theoretical Study von Michalková, Andrea, Tunega, Daniel

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Mineral-organic interfacial processes: potential roles in the origins of life von Cleaves, 2nd, H James, Michalkova Scott, Andrea, Hill, Frances C, Leszczynski, Jerzy, Sahai, Nita, Hazen, Robert

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Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles von Puzyn, Tomasz, Rasulev, Bakhtiyor, Gajewicz, Agnieszka, Hu, Xiaoke, Dasari, Thabitha P., Michalkova, Andrea, Hwang, Huey-Min, Toropov, Andrey, Leszczynska, Danuta, Leszczynski, Jerzy

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Kaolinite:Dimethylsulfoxide IntercalateA Theoretical Study von Michalková, Andrea, Tunega, Daniel

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Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces von Tsendra, Oksana, Boese, A. Daniel, Isayev, Olexandr, Gorb, Leonid, Scott, Andrea Michalkova, Hill, Frances C, Ilchenko, Mykola M, Lobanov, Victor, Leszczynska, Danuta, Leszczynski, Jerzy

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Theoretical Study of the Roles of Na+ and Water on the Adsorption of Formamide on Kaolinite Surfaces von Michalkova Scott, Andrea, Dawley, M. Michele, Orlando, Thomas M, Hill, Frances C, Leszczynski, Jerzy

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Adsorption of Formamide on Kaolinite Surfaces: A Combined Infrared Experimental and Theoretical Study von Dawley, M. Michele, Scott, Andrea Michalkova, Hill, Frances C, Leszczynski, Jerzy, Orlando, Thomas M

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Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution von Golius, Anastasiia, Gorb, Leonid, Michalkova Scott, Andrea, Hill, Frances C., Leszczynski, Jerzy

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Experimental and computational study of membrane affinity for selected energetic compounds von Golius, Anastasiia, Gorb, Leonid, Michalkova Scott, Andrea, Hill, Frances C., Shukla, Manoj, Goins, A. Benjamin, Johnson, David R., Leszczynski, Jerzy

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Effect of Charge Distribution on RDX Adsorption in IRMOF-10 von Xiong, Ruichang, Keffer, David J, Fuentes-Cabrera, Miguel, Nicholson, Donald M, Michalkova, Andrea, Petrova, Tetyana, Leszczynski, Jerzy, Odbadrakh, Khorgolkhuu, Doss, Bryant L, Lewis, James P

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Computational study of nitroguanidine (NQ) tautomeric properties in aqueous solution von Golius, Anastasiia, Gorb, Leonid, Michalkova Scott, Andrea, Hill, Frances C., Felt, Deborah, Larson, Steven, Ballard, John, Leszczynski, Jerzy

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First-Principles Studies of Paramagnetic Vivianite Fe3(PO4)2·8H2O Surfaces von Pinto, Henry P, Michalkova, Andrea, Leszczynski, Jerzy

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First-Principles Studies of Paramagnetic Vivianite Fe 3 (PO 4 ) 2 ·8H 2 O Surfaces von Pinto, Henry P., Michalkova, Andrea, Leszczynski, Jerzy

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Theoretical modeling of (001) α-alumina surface von NAGY, Ladislav Turi, LISKA, Marek, MICHALKOVA, Andrea, CASNY, Marian

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Toward Accurate and Efficient Predictions of Entropy and Gibbs Free Energy of Adsorption of High Nitrogen Compounds on Carbonaceous Materials von Scott, Andrea Michalkova, Gorb, Leonid, Burns, Elizabeth A, Yashkin, Sergey N, Hill, Frances C, Leszczynski, Jerzy

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Adsorption of Nitrogen-Containing Compounds on the (100) α‑Quartz Surface: Ab Initio Cluster Approach von Tsendra, Oksana, Scott, Andrea Michalkova, Gorb, Leonid, Boese, A. Daniel, Hill, Frances C, Ilchenko, Mykola M, Leszczynska, Danuta, Leszczynski, Jerzy

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Viability of pyrite pulled metabolism in the ‘iron-sulfur world’ theory: Quantum chemical assessment von Michalkova, Andrea, Kholod, Yana, Kosenkov, Dmytro, Gorb, Leonid, Leszczynski, Jerzy

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Theoretical study of adsorption of nitrogen-containing environmental contaminants on kaolinite surfaces von Scott, Andrea Michalkova, Burns, Elizabeth A., Hill, Frances C.

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Theoretical predictions of thermodynamic parameters of adsorption of nitrogen containing environmental contaminants on kaolinite von Scott, Andrea Michalkova, Burns, Elizabeth A., Lafferty, Brandon J., Hill, Frances C.

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Theoretical study of the surface properties of poly(dimethylsiloxane) and poly(tetrafluoroethylene) von Michalkova, Andrea, Tulyani, Sonia, Beals, James, Leszczynski, Jerzy

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