Theoretical DFT study on metal–organic frameworks for hydrogen storage von Zhanpeisov, Nurbosyn U.

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Structure−Property Correlation of CdSe Clusters Using Experimental Results and First-Principles DFT Calculations von Jose, Rajan, Zhanpeisov, Nurbosyn U, Fukumura, Hiroshi, Baba, Yoshinobu, Ishikawa, Mitsuru

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Oxygen Vacancy Formation on Rutile TiO2(110) and Its Interaction with Molecular Oxygen:  A Theoretical Density Functional Theory Study von Zhanpeisov, Nurbosyn U, Fukumura, Hiroshi

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Interaction of a Single Water Molecule with a Single Graphite Layer: An Integrated ONIOM Study von Zhanpeisov, Nurbosyn U, Zhidomirov, Georgii M, Fukumura, Hiroshi

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Hydrogen Bonding versus Coordination of Adsorbate Molecules on Ti-Silicalites:  A Density Functional Theory Study von Zhanpeisov, Nurbosyn U, Anpo, Masakazu

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Theoretical DFT Study on the Interaction of NO and Br2 with the Pt(111) Surface von Zhanpeisov, Nurbosyn U, Fukumura, Hiroshi

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Reverse Watson−Crick Isocytosine−Cytosine and Guanine−Cytosine Base Pairs Stabilized by the Formation of the Minor Tautomers of Bases. An ab Initio Study in the Gas Phase and in a... von Zhanpeisov, Nurbosyn U, Šponer, Jiří, Leszczynski, Jerzy

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The Specific Solvation Effects on the Structures and Properties of Adenine−Uracil Complexes:  A Theoretical ab Initio Study von Zhanpeisov, Nurbosyn U, Leszczynski, Jerzy

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Experimental and Theoretical Study of the Metallotropic Migrations in Cyclooctatetraeneosmiumtricarbonyl von Gridnev, Ilya D, Zhanpeisov, Nurbosyn U, del Rosario, Mia Karenina C

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Single bovine serum albumin molecule can hold plural blue-emissive gold nanoclusters: A quantitative study with two-photon excitation von Kindi, Hamza Al, Mohamed, Ahmed, Kajimoto, Shinji, Zhanpeisov, Nurbosyn, Horino, Hideyuki, Shibata, Yutaka, Rzeznicka, Izabela I., Fukumura, Hiroshi

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Theoretical DFT study on structure and chemical activity of new carbon K4 clusters von Zhanpeisov, Nurbosyn U.

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Specific Solvation Effects on Structures and Properties of Isocytosine−Cytosine Complexes:  A Theoretical ab Initio Study von Zhanpeisov, Nurbosyn U, Leszczynski, Jerzy

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Specific Solvation Effects on the Structures and Properties of Neutral and One-Electron Oxidized Formamidine−Formamide Complexes. A Theoretical ab Initio Study von Zhanpeisov, Nurbosyn U, Leszczynski, Jerzy

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Theoretical Quantum Chemical Study of Tautomerism and Proton Transfer in 6,8-Dithioguanine von Zhanpeisov, Nurbosyn U, Cox, Woodrow Wilson, Leszczynski, Jerzy

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Theoretical DFT study of the structure and chemical activity of small indium(III) oxide clusters von Zhanpeisov, Nurbosyn U., Nakatani, Hiroaki, Fukumura, Hiroshi

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Oxygen Vacancy Formation on Rutile TiO 2 (110) and Its Interaction with Molecular Oxygen:  A Theoretical Density Functional Theory Study von Zhanpeisov, Nurbosyn U., Fukumura, Hiroshi

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On the origin of the Raman band shifts for H-bonded complexes of normal alcohols and 2-butoxyethanol with water: A theoretical DFT and MP2 study von Zhanpeisov, Nurbosyn U., Takanashi, Sakurako, Kajimoto, Shinji, Fukumura, Hiroshi

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Theoretical DFT Study on the Interaction of NO and Br 2 with the Pt(111) Surface von Zhanpeisov, Nurbosyn U., Fukumura, Hiroshi

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The effect of the framework structure on the chemical properties of the vanadium oxide species incorporated within zeolites von Anpo, Masakazu, Higashimoto, Shinya, Matsuoka, Masaya, Zhanpeisov, Nurbosyn, Shioya, Yasushi, Dzwigaj, Stanislaw, Che, Michel

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Theoretical ab initio study of the intrinsic band gap in semiconductor oxides based on modified titanium dioxides von Zhanpeisov, Nurbosyn U., Anpo, Masakazu

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