Dr. Nataliya Kruglyak's Curriculum Vitae

Born: February 2, 1946 in Tchishma, Russia
Maiden Name: Radomyselskaya
Profession: Theoretical and Computational Chemistry
Sex: Female
Marital Status: Married to Mr. Yuri Kruglyak
Children: 1

**Addresses:**
Private address: French Blvd 43 Apartment 3 Odessa 270044 Ukraine E-mail: kruglyak@qnet.odessa.ua Fax: +380-482-63 77 85 Tel: +380-482-60 33 14	Office address: Department of Molecular Electronics Faculty of Chemistry Odessa State University Dvoryanskaya St. 2 Odessa 270100 Ukraine Tel: +380-482-23 62 93

Education, Degree:

[1964 - 1969] Student at Tchelyabinsk Polytechnical University, Department of Physical

Chemistry
[1971 - 1973] Graduate student at The A.I.Brodsky Institute of Physical Chemistry: Laboratory of

Quantum Chemistry, National Academy of Sciences of Ukraine [NASU], Kiev
[1981] Degree of Candidate of Sciences in Polymer Physics: Thesis "Short-Range Ordering of

Some Liquid Oligomeric Glycols"

Carrier:

[1970 - 1971] Engineer at Division of Photochemistry, The A.I.Brodsky Institute of Physical

Chemistry, NASU, Kiev
[1973 - 1976] Junior Researcher at Department of Polymer Chemistry, The T.G.Shevchenko

National Kiev State University
[1976 - 1981] Senior Researcher at Institute of High Polymeric Substances, NASU, Kiev
[1981 - 1989] Senior Researcher at Division of Thermodynamics and Theoretical Chemistry,

The A.V.Bogatsky Physico-chemical Institute, NASU, Odessa
[1990 - upnow] Senior Researcher, Associated Professor at Department of Molecular Electronics,

The I.I.Mechnikov Odessa State University

Work experience:

Regular cources:

Computer sciences [Three-semester course]
Quantum mechanics and quantum chemistry [Two-semester course]

Research:

Over 35 research papers in refereed journals; selected bibliography of papers some of them published in English and German is given below.

Other work experience:

Well acquainted with computers and telecommunication technique, programing under Windows'95 / Delphi 2 / C++ / Fortran / Pascal / Basic / Clarion, library, office, publishing works
Speaking, reading, writing, understanding English - well
Current private project-on-line: Rate Constants of Gasphase Chemical Reactions Database under original Windows'95 / Delphi2 shell [jointly with Prof. Yuri Kruglyak]

Selected publications:

Book in Russian:

Yu.S.Lipatov, V.V.Shilov, Yu.P.Gomsa, N.E.Kruglyak. X-Ray Methods for Polymeric Systems. "Naukova Dumka" Press, 1982, 295 pp.

Selected publications:

Yu.A.Kruglyak, G.Hiebaum, N.E.Radomyselskaya.Electronic Structure of Benzyl Radical in its Ground State Equillibrium Configuration. Rev.Roumaine Chemie, v. 17, N 5, 781 - 799 (1972)
N.E.Kruglyak, Yu.A.Kruglyak.Optical Properties and Electronic Structure of Benzyl Radical Ions. Institute for Theoretical Physics Preprint [ITP Preprint] 143, 1972, 33 pp.
N.E.Kruglyak, Yu.A.Kruglyak.Optical properties of Benzyl Cation and Anion. Teoret. i Eksper. Khim. [TEK], v. 9, N 2, 169 - 175 (1973)
N.E.Kruglyak, E.Gey, Yu.A.Kruglyak.Electronic Structure and Properties of Benzyl Radical Ions in Ground and Excited States. ITP Preprint 131, 1973, 27 pp.
N.E.Kruglyak, E.Gey, Yu.A.Kruglyak.Structure of Electronic Shells of Benzyl Radical by UHF and ORHF Methods in Approximations CNDO/2 and INDO. ITP Preprint 132, 1973, 40 pp.
V.A.Bolotin, U.B.Zurba, N.E.Kruglyak, L.M.Balyavitchus, A.B.Bolotin.Theoretical Study of Electronic Spectra of Azines. Lietuvos Fizikos Rinkinus, v. 14, N 4, 562 - 571 (1974)
E.Gey, N.E.Kruglyak. Elektronenstruktur und Eigenschaften substituierter Benzylradikale und ihrer Ionen im Grundzustand. Z.phys.Chemie, v. 255, N 5, 915 - 932 (1974)
E.Gey, N.E.Kruglyak. Elekrtonenstruktur und optische Eigenschaften substituierter Benzylradikale in angeregten Zustanden. Z.phys.Chemie, v. 256, N 4, 737 - 750 (1975)
N.E.Kruglyak, Yu.A.Kruglyak, P.Iberty, A.V.Pochinok Conformational Analysis, Electronic Structure, and Properties of p-Phenylenediazide and p-Phenylenedinitrene ab initio/3G. ITP Preprint 105, 1976, 21 pp.
N.E.Kruglyak, V.V.Shilov. Computer Program for Radial Distribution Functions by Ideal Peaks Method. Zhurnal Strukturnoi Khim. [ZSK], v. 20, N 4, 763 - 764 (1979)
V.V.Shilov, N.E.Kruglyak, Yu.S.Lipatov. Modelling of the Short-Range Order for Polymers by the Ideal Peaks Method. Intern.J.Quantum Chem., v. 16, 799 - 808 (1979)
V.V.Shilov, N.E.Kruglyak, Yu.S.Lipatov. Modelling of Short-Range Ordering for Polymers by Ideal Peaks Method. In "Progress in Quantum Chemistry, Biology, and Pharmacology", ed. A.S.Davydov, "Naukova Dumka" Press, Kiev, 1980, Part I, pp. 439 - 448
T.E.Lipatova, N.E.Kruglyak. Quantum-chemical Study of Reaction Centers in a Course of Anionic Polymerization with Electron Transfer. ZSK, v. 21, N 2, 17 - 21 (1980)
E.Gey, N.E.Kruglyak. Reactivity of Substituted Styrenes for Radical Polymerization. In "Catalysis and Reaction Mechanisms for Polymerization", ed. Yu.S.Lipatov, "Naukova Dumka" Press, Kiev, 1980, pp. 59 - 76
Yu.S.Lipatov, V.V.Shilov, N.E.Kruglyak. Methods to Study of Short-Range Ordering in Liquid and Amorphous Polymers. In "Physico-chemical Methods for Polymer Study", ed. Yu.S.Lipatov, "Naukova Dumka" Press, Kiev, 1981, pp. 3 - 32
V.V.Shilov, N.E.Kruglyak, Yu.S.Lipatov. Study of the Short-Range Order of Liquid Polytetramethylene Glycol. J.Macromol.Sci.-Phys., v. B22(1), 79 - 109 (1983)
N.E.Kruglyak, T.E.Lipatova, N.V.Kozak, Yu.N.Nisel'sky Conformational Analysis of Organic Isocyanates. TEK, v. 20, N 1, 3 (1984)

Last updated November 5, 1999

Kruglyak Research & Teaching TheoChem Links

Professor Yuri Kruglyak' Curriculum Vitae

QuantumNet Public Association' Membership

QuantumNet Goals & Activity

Contents of Computational Chemistry CD ROM on Sale: Part [A => L]

Contents of Computational Chemistry CD ROM on Sale: Part [M => Z]

Send E-Mail to: quantum@farlep.net