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List of publications of Dr. Nurbosyn U. Zhanpeisov 1. N.U. Zhanpeisov, M. Anpo. Hydrogen bonding versus coordination of adsorbate molecules on Ti-silicalites: A density functional theory study. J. Am. Chem. Soc.
126 (2004) 9439-9444.
2. I.L. Zilberberg, N.U. Zhanpeisov. Preface. Res. Chem. Intermed. 30 (2004) 1-4.
3. N.U. Zhanpeisov, K. Tsujimaru, M. Anpo. Intrinsic band gap in semiconductor
oxides and Ti-silicalite: ab initio and DFT study. Res. Chem. Intermed. 30 (2004)
121-132.
4. N.U. Zhanpeisov. A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia. Res. Chem.
Intermed. 30 (2004) 133-142.
5. N.U. Zhanpeisov, K. Mizuno, M. Anpo, J. Leszczynski. C1-C2 bond cleavage in vinylidenecyclopropanes: Theoretical density functional theory study. Int. J.
Quantum Chem. 96 (2004) 343-348.
Zhanpeisov, Y. Kanazawa, H. Yamashita, M. Anpo. Intrinsic band gap shift in Ti silicalites modified by V ion implantation: ab initio and density functional
theory study. Int. J. Quantum Chem. 96 (2004) 349-354.
7. N.U. Zhanpeisov, W.S. Ju, K. Iino, M. Matsuoka, M. Anpo. Local structure of highly dispersed lead species incorporated within zeolite: experimental and
theoretical studies. Res. Chem. Intermediat. 29 (2003) 407-416.
8. N.U. Zhanpeisov, A. Miyamoto. Interactions of water and methanol with a mixture of copper and zinc metals: a theoretical ab initio study. Res. Chem.
Intermediat. 29 (2003) 417-428.
9. N.U. Zhanpeisov, G. Martra, W.S. Ju, M. Matsuoka, S. Coluccia, M. Anpo. Interaction of N2O with Ag+ ion-exchanged zeolites: an FT-IR spectroscopy and
quantum chemical ab initio and DFT studies. J. Mol. Catal. A: Chemical 201
(2003) 237-246.
10. N.U. Zhanpeisov, W.S. Ju, M. Matsuoka, M. Anpo. Quantum chemical calculations on the structure and adsorption properties of NO and N2O on Ag+ and
Cu+ ion-exchanged zeolites. Struct. Chem. 14 (2003) 247-255.
11. M. Anpo, S. Higashimoto, M. Matsuoka, N. Zhanpeisov, Y. Shioya, S. Dzwigaj, M. Che. Corrigendum to “The effect of the framework structure on the chemical
properties of the vanadium oxide species incorporated within zeolites.” Catal.
Today 86 (2003) 287-288.
12. M. Anpo, S. Higashimoto, M. Matsuoka, N. Zhanpeisov, Y. Shioya, S. Dzwigaj, M. Che. The effect of the framework structure on the chemical properties of the
vanadium oxide species incorporated within zeolites. Catal. Today 78 (2003)
211-217.
13. N.U. Zhanpeisov, A. Sugimoto, K. Mizuno, M. Anpo, J. Leszczynski. Thermal instability of 5-(9-anthrylmethyl)-10-methyl-5,10-dihydrophenazine. A quantum
chemical DFT study. J. Mol. Struct. (Theochem) 592 (2002) 149-153.
14. N.U. Zhanpeisov, W.S. Ju, M. Anpo. Local structure of highly dispersed lead containing zeolite. An ab initio and density functional theory study. J. Mol. Struct.
(Theochem) 592 (2002) 155-160.
15. N.U. Zhanpeisov, M. Anpo. Combined cluster quantum chemical MINDO/3 and ab initio study on zinc phosphate structures. Struct. Chem. 12 (2001) 399-403.
16. N.U. Zhanpeisov, S. Higashimoto, M. Anpo. Selective catalytic reduction of nitric oxide with ammonia: A theoretical ab initio study. Int. J. Quantum Chem. 84
(2001) 677-685.
17. N.U. Zhanpeisov, J. Leszczynski. Hydration of DNA bases and compounds containing small rings – a model for interactions of the ricin toxin A-chain. A
theoretical ab initio study. Struct. Chem. 12 (2001) 121-126.
18. N.U. Zhanpeisov, M. Harada, M. Anpo. The nature of the active sites of titanium oxide photocatalysts stabilized on an active carbon surface. A theoretical ab initio
study. J. Mol. Struct. (Theochem) 529 (2000) 135-139.
19. H. Zhou, H. Tamura, S. Takami, M. Kubo, N. Zhanpeisov, A. Miyamoto. Adsorption properties of CH3OH on Al(111) and Fe(100) surfaces: A periodic
first-principles investigation. Jpn. J. Appl. Phys. 39 (2000) 4275-4278.
20. N.U. Zhanpeisov and M. Anpo. Theoretical ab initio studies of the interaction of molecules with transition metals containing zeolites and silicalites: A case study
of the interaction of NO molecules. In: Photofunctional Zeolites: Synthesis,
Characterization, Photocatalytic Reactions, Light Harvesting. Eds. M. Anpo,
Nova Science Publ., Inc., Huntington, New-York, Chapter 3, (2000) 75-97.
21. H. Zhou, H. Tamura, S. Takami, M. Kubo, R. Belosludov, N. Zhanpeisov, A. Miyamoto. Periodic density functional study on adsorption properties of organic
molecules on clen Al(111) surface. Appl. Surf. Sci. 158 (2000) 38-42.
22. N.U. Zhanpeisov, J. Leszczynski. Specific solvation effects on the structures and properties of neutral and one-electron oxidized formamidine-formamide
complexes. A theoretical ab initio study. J. Phys. Chem. A 103 (1999) 8317-8327.
23. N.U. Zhanpeisov, J. Leszczynski. Specific solvation effects on the structures and properties of Watson-Crick and reverse Watson-Crick isocytosine-cytosine and
guanine-cytosine base pairs: a theoretical ab initio study. J. Mol. Struct.
(Theochem) 487 (1999) 107-115.
24. N.U. Zhanpeisov, J.W. Adams, S.L. Larson, C.A. Weiss, Jr., B.Zh. Zhanpeisova, D. Leszczynska, J. Leszczynski. Cluster quantum chemical study of
triaminotoluene interaction with a model clay surface. Struct. Chem. 10 (1999)
285-294.
25. N.U. Zhanpeisov, W.W. Cox, Jr., J. Leszczynski. Theoretical quantum chemical study of tautomerism and proton transfer in 6,8-dithioguanine. J. Phys. Chem. A
103 (1999) 4564-4571.
26. N.U. Zhanpeisov, J. Sponer, J. Leszczynski. 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 water cluster. J.
Phys. Chem. A 102 (1998) 10374-10379.
27. N.U. Zhanpeisov, M. Matsuoka, H. Mishima, H. Yamashita, M. Anpo. Interaction of NO molecules with a copper-containing zeolite. A theoretical ab initio study.
J. Mol. Struct. (Theochem) 454 (1998) 201-207.
28. N.U. Zhanpeisov, J. Leszczynski. Specific solvation effects on structures and properties of isocytosine-cytosine complexes: A theoretical ab initio study. J.
Phys. Chem. B 102 (1998) 9109-9118.
29. N.U. Zhanpeisov, M. Matsuoka, H. Yamashita, M. Anpo. Cluster quantum chemical ab initio study on the interaction of NO molecules with highly dispersed
titanium oxides incorporated into silicalite and zeolites. J. Phys. Chem. B 102
(1998) 6915-6920.
30. N.U. Zhanpeisov, J. Leszczynski. The specific solvation effects on the structures and properties of adenine-uracil complexes: A theoretical ab initio study. J. Phys.
Chem. A 102 (1998) 6167-6172.
31. N.U. Zhanpeisov, J. Leszczynski. Ab initio study of the structure of isocytosine- cytosine standard Watson-Crick base pairs in the gas phase and in water. Int. J.
Quantum Chem. 69 (1998) 37-47.
32. A. Jabalameli, N.U. Zhanpeisov, A. Nowek, R.H. Sullivan, J. Leszczynski. Interactions of hydroxyurea with a water molecule. Ab initio molecular orbital
study. J. Phys. Chem. A 101 (1997) 3619-3625.
33. N.U. Zhanpeisov, H. Nakatsuji, M. Hada, M. Yoshimoto. Cluster quantum chemical MINDO/3 study of HCOOH interactions with nonpolar (10ī0) surface of
ZnO. J. Mol. Catal. A: Chemical 118 (1997) 69-77.
34. N.U. Zhanpeisov, H. Nakatsuji, M. Hada, H. Nakai, M. Anpo. CO and NO adsorption on copper-containing zeolite. A theoretical ab initio study. Catal. Lett.
42 (1996) 173-176.
35. N.U. Zhanpeisov, H. Nakatsuji, M. Hada. Cluster quantum chemical MINDO/3 study on the nature of hydroxyl groups on a calcium oxide surface. J. Mol. Catal.
A: Chemical 112 (1996) 63-67.
36. N.U. Zhanpeisov, T. Bredow, K. Jug. Quantum chemical SINDO1 study of vanadium pentoxide. Catal. Lett. 39 (1996) 111-118.
37. G.M. Zhidomirov, N.U. Zhanpeisov, I.L. Zilberberg, I.V. Yudanov. On some ways of modifying semiempirical quantum chemical methods. Int. J. Quantum
Chem. 58 (1996) 175-184.
38. N.U. Zhanpeisov, V. Staemmler, M. Baerns. A quantum chemical MINDO/3 study of methane and oxygen interactions with a pure and a modified calcium
oxide surface. J. Mol. Catal. A: Chemical 101 (1995) 51-60.
39. N.U. Zhanpeisov, M. Baerns. Cluster quantum chemical study of the chemisorption of methane on a lithium promoted magnesium oxide doped by zinc
oxide. J. Mol. Catal. A: Chemical 99 (1995) 139-142.
40. G.M. Zhidomirov, V.I. Avdeev, N.U. Zhanpeisov, I.I. Zakharov, I.V. Yudanov. Molecular models of active sites of C1 and C2 hydrocarbon activation. Catal.
Today 24 (1995) 383-387.
41. N.U. Zhanpeisov, G.M. Zhidomirov, M. Baerns. Cluster quantum chemical study of the chemisorption of methane on zinc oxide surface. J. Mol. Catal. A:
Chemical 99 (1995) 35-39.
42. N.U. Zhanpeisov, E.A. Paukshtis, G.M. Zhidomirov, V.A. Zakharov. Quantum chemical cluster investigation of the interaction of carbon monoxide and surface
acid centers of highly dispersed magnesium chloride. Russ. Kinet. Catal. 36
(1995) 187-190.
43. N.U. Zhanpeisov, E.A. Paukshtis, G.M. Zhidomirov, V.A. Zakharov. Cluster quantum chemical study of the interaction of carbon monoxide with surface acid
centers of highly dispersed magnesium chloride. Catal. Lett. 29 (1994) 209-215.
44. N.U. Zhanpeisov, G.M. Zhidomirov, I.V. Yudanov, K.J. Klabunde. Cluster quantum chemical study of the interaction of dimethyl methylphosphonate with
magnesium oxide. J. Phys. Chem. 98 (1994) 10032-10035.
45. N.U. Zhanpeisov, G.M. Zhidomirov, M. Baerns. Cluster quantum chemical study of the interaction between a carbon monoxide molecule and a zinc oxide surface.
Rus. J. Struct. Chem. 35 (1994) 9-12.
46. N.U. Zhanpeisov, K. Otsuka. Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron-phosporus mixed oxide catalysts. 2. Influence of additives. React. Kinet. Catal. Lett. 52 (1994) 27-33. 47. E.B. Burgina, V.P. Baltakhinov, E.V. Boldyreva, E.S. Stoyanov, N.U. Zhanpeisov G.M. Zhidomirov. Effect of high pressure on the vibration spectrum of
nitromethane molecules: changes in the kinematics of the vibrations as a result of
the decrease in the distance between the molecules. J. Mol. Struct. 296 (1993) 53-
59.
48. I.S. Irgibaeva, V.A. Benderskii, G.M. Zhidomirov, N.U. Zhanpeisov. MINDO/3 simulation of electro-chemical hydrogen evolution reaction. Adsorption of
hydrogen atoms on a mercury surface. Russ. Electrochem. 28 (1992) 967-971.
49. N.U. Zhanpeisov, K. Otsuka. Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron-phosphorus mixed
oxide catalysts. React. Kinet. Catal. Lett. 48 (1992) 301-308.
50. N.U. Zhanpeisov, A.G. Pelmenschikov, G.M. Zhidomirov. Quantum chemical study of the nature of hydroxy groups on an MgO surface. Mendeleev Commun. (1992) 148-149. 51. G.M. Zhidomirov, N.U. Zhanpeisov. Quantum chemical study of complexes with hydrogen bonds. Russ. Chem. Phys. 11 (1992) 670-677.
52. N.U. Zhanpeisov, G.M. Zhidomirov. Parametrization of the semiempirical MINDO/3 quantum chemical method for zinc containing compounds. Russ. J.
Struct. Chem. 33 (1992) 128-130.
53. G.M. Zhidomirov, N.U. Zhanpeisov. Active centers of magnesium oxide surface and calculations of dissociative chemisorption of methane on modified MgO.
Catal. Today. 13 (1992) 517-522.
54. N.U. Zhanpeisov, G.M. Zhidomirov. Molecular structure of a surface superoxide radical-anion on MgO. Mendeleev Commun. (1992) 111-113.
55. N.U. Zhanpeisov, G.M. Zhidomirov. Cluster quantum chemical study of dihydrogen, methane and water molecules interactions with a pure and lithium
doped magnesium oxide. In: Physics and Chemistry of Finite Systems: From
Clusters to Crystals. Eds. P. Jena, S. Khanna, B. Rao. Vol. 2 (1992) 1177-1182.
56. N.U. Zhanpeisov, A.G. Pelmenschikov, G.M. Zhidomirov. Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. 2.
Molecular and dissociative adsorption of H2O. Russ. Kinet. Catal. 32 (1991) 875-
877.
57. N.U. Zhanpeisov, A.G. Pelmenschikov, G.M. Zhidomirov. Cluster quantum chemical study of interaction of molecules with a magnesium oxide surface. 1.
Dissociative chemisorption of hydrogen and methane molecules. Russ. Kinet.
Catal. 31 (1990) 491-496.
58. O.V. Gritsenko, S.V. Danilova, N.U. Zhanpeisov, V.G. Malkin, G.M. Zhidomirov A combined method of SCF MO LCAO and correlation density functional as
applied to adsorption of atomic hydrogen by lithium clusters. Russ. Theor. Exp.
Chem. 25 (1989) 385-392.
59. N.U. Zhanpeisov, G.M. Zhidomirov. Application of MINDO/3-HB method to evaluation of activation energy of intramolecular proton transfer in
malonaldehyde. React. Kinet. Catal. Lett. 38 (1989) 395-397.
60. G.V. Tsintsadze, G.M. Zhidomirov, M.A. Meladze, N.U. Zhanpeisov, E.A. Kvesereli, A.G. Pelmenschikov, A.P. Narimanidze. Quantum chemical study of
the proton acceptor properties of amides and hydrazides of nicotinic and
isonicotinic acids. Bull. Russ. Acad. Sci. Chemical (1988) 810-812.
61. G.M. Zhidomirov, A.G. Pelmenschikov, N.U. Zhanpeisov, A.G. Grebenyuk. Cluster approach to quantum chemical calculations of chemisorption and
heterogeneous catalytic systems. Russ. Kinet. Catal. 28 (1987) 86-99.
62. N.U. Zhanpeisov, A.G. Pelmenschikov, E.A. Paukshtis, G.M. Zhidomirov. A quantum chemical study of the formation mechanisms of pyridinium ion on
alumina-silica surface and in liquid phase. Russ. Kinet. Catal. 28 (1987) 194-198.
63. N.U. Zhanpeisov, A.G. Pelmenschikov, G.M. Zhidomirov. A modified form of the MINDO/3 method for hydrogen bonded complexes. Russ. J. Struct. Chem. 28
(1987) 1-5.
64. A.G. Pelmenschikov, E.A. Paukshtis, N.U. Zhanpeisov, V.I. Pavlov, G.M. Zhidomirov. Comparative discussion of NH + surfaces and in acidic media. React. Kinet. Catal. Lett. 33 (1987) 423-428.
65. A.G. Pelmenschikov, N.U. Zhanpeisov, E.A. Paukshtis, L.V. Malysheva, G.M. Zhidomirov, K.I. Zamaraev. On the nature of transition state in reactions of
proton acid heterogeneous organic catalysis. Bull. Russ. Acad. Sci. 293 (1987)
910-920.
66. O.V. Gritsenko, S.V. Danilova, N.U. Zhanpeisov, V.G. Malkin, G.M. Zhidomirov On the evaluation of the correlation energy and the total non-relativistic Born-
Oppenheimer energy for the water molecule. Chem. Phys. Lett. 134 (1987) 423-
427.
67. N.U. Zhanpeisov, M.B. Muratbekov, B.A. Beremzhanov, G.M. Zhidomirov. Energetic effects of some radical reactions of phosphinates, phosphonates and
phosphates as calculated by a semiempirical quantum chemical MINDO/3 method.
Bull. Kazakh Acad. Sci. Chemical (1986) 37-42.
68. N.U. Zhanpeisov, M.B. Muratbekov, B.A. Beremzhanov, G.M. Zhidomirov. Semiempirical quantum chemical MINDO/3 study of phosphinates, phosphonates
and phosphates as well as their free-radical derivatives. Bull. Kazakh Acad. Sci.
Chemical (1986) 72-78.
69. G.V. Tsintsadze, G.M. Zhidomirov, E.A. Kvesereli, A.G. Pelmenschikov, M.A. Meladze, N.U. Zhanpeisov. Quantum chemical study of peptide bond properties
in a protonated formamide. Bull. Russ. Acad. Sci. Chemical (1985) 2617-2619.
70. N.U. Zhanpeisov, M.B. Muratbekov, B.A. Beremzhanov. Semiempirical quantum chemical CNDO/2 study of three-fold and four-fold coordinated radicals formed
from phosphinate and phosphonate. Bull. Kazakh. Acad. Sci. Chemical
(1983) 3-8.

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