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Sliding mechanisms of soliton lattice and vibrational coupling for trans-polyacetyleneMORI, Y.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1998, Vol 314-15, pp 113-118, issn 1058-725XConference Paper

Energetics of the α-Sic(0001)-(3 x 3) surface reconstructionBADZIAG, P.Surface science. 1998, Vol 402-04, pp 822-826, issn 0039-6028Conference Paper

α-SiC(0001)√3 × √3 surface, possible models for the reconstructionBADZIAG, P.Surface science. 1995, Vol 337, Num 1-2, pp 1-7, issn 0039-6028Article

MNDO study of some [6]pracyclophanes with unsaturated chainsCHI-KIN WONG; YU-SAN CHEUNG; WONG, H. N. C et al.Journal of chemical research. Synopses (Print). 1993, Num 8, pp 308-309, issn 0308-2342Article

Semibuckminsterfullerene : MNDO study of a hemispherical triindenotriphenyleneFAUST, R; VOLLHARDT, K. C. P.Journal of the Chemical Society. Chemical communications. 1993, Num 19, pp 1471-1473, issn 0022-4936Article

A new carbon rich model of the α-sic(0001)√3 × √3 surface reconstructionBADZIAG, P.Surface science. 1998, Vol 412-13, pp 502-508, issn 0039-6028Article

Calculation of vibrational frequencies of sulphur compounds using semiempirical molecular orbital methods (AM1, PM3, NMDO)FAUSTO, R.Journal of molecular structure. 1994, Vol 323, pp 267-277, issn 0022-2860Article

Quantum chemical study of the network modification in vitreous B2O3ZYUBIN, A. S; DEMBOVSKY, S. A; KONDAKOVA, O. A et al.Journal of non-crystalline solids. 1998, Vol 224, Num 3, pp 291-298, issn 0022-3093Article

Optical properties of positively charged oxygen vacancy in silica and germanosilicate glassesSOKOLOV, V. O; SULIMOV, V. B.Glass physics and chemistry. 1998, Vol 24, Num 6, pp 485-489, issn 1087-6596Article

Can hydrogen stabilize the α-SiC(0001)√3 × √3 surface ?BADZIAG, P.Surface science. 1996, Vol 352-54, pp 396-400, issn 0039-6028Conference Paper

The electrostatic potential in the semiempirical molecular orbital approximationCUMMINS, P. L; GREADY, J. E.Chemical physics letters. 1994, Vol 225, Num 1-3, pp 11-17, issn 0009-2614Article

Electrical-field mapping of some anions and cations of adenine and guanineMOHAN, C. G; ANIL KUMAR; MISHRA, P. C et al.International journal of quantum chemistry. 1993, Vol 48, Num 4, pp 233-238, issn 0020-7608Article

Electric field mapping and structure-activity relationships for some neurotransmitters : serotonin congenersSANTHOSH, C; MISHRA, P. C.Journal of molecular structure. Theochem. 1994, Vol 306, Num 1, pp 77-81, issn 0166-1280Article

Second-order nonlinear optical properties and molecular conformationARNOLD, J; DOLATA, D. P.Optical engineering (Bellingham. Print). 1993, Vol 32, Num 6, pp 1328-1332, issn 0091-3286Article

Tetraphosphorus decoxide P4O10 : electronic structure, vibrational spectrum, and thermodynamic propertiesSLIVKO, S. A; KRIVOVYAZOV, E. L.Russian journal of inorganic chemistry. 1993, Vol 38, Num 11, pp 1740-1745, issn 0036-0236Article

Fluorination of carbon nanotubes within the molecular cluster methodLEBEDEV, N. G; ZAPOROTSKOVA, I. V; CHERNOZATONSKII, L. A et al.Microelectronic engineering. 2003, Vol 69, Num 2-4, pp 511-518, issn 0167-9317, 8 p.Conference Paper

n(=1,2,3) dimensional, FT-EPR spectroscopy and MNDO calculations for the interpretation of the HC₁ centre detected in silicate glassesKORDAS, G.Physics and chemistry of glasses. 1996, Vol 37, Num 1, pp 9-12, issn 0031-9090Article

EPR spectroscopy and MNDO calculations for the interpretation of the H₄⁺ centre detected in oxynitride glassesKORDAS, G.Physics and chemistry of glasses. 1995, Vol 36, Num 6, pp 259-263, issn 0031-9090Article

Violently twisted and strained organic molecules: a descriptor system for simple coronoid aromatics with a Möbius half-twist and semiempirical calculations on the Möbius analogs of coroneneZOELLNER, R. W; KREBS, J. F; BROWNE, D. M et al.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 252-258, issn 0095-2338Conference Paper

Fullerenes with four-membered ringsYING-DUO GAO; HERNDON, W. C.Journal of the American Chemical Society. 1993, Vol 115, Num 18, pp 8459-8460, issn 0002-7863Article

Tetraphosphorus heptoxide P4O7 : electronic structure, vibrational spectrum, and thermodynamic propertiesSLIVKO, S. A; KRIVOVYAZOV, E. L.Russian journal of inorganic chemistry. 1993, Vol 38, Num 11, pp 1735-1739, issn 0036-0236Article

Modeling of Fluorescence Quenching by Lutein in the Plant Light-Harvesting Complex LHCIIDUFFY, C. D. P; CHMELIOV, J; MACERNIS, M et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 38, pp 10974-10986, issn 1520-6106, 13 p.Article

Underlayer chemisorption of C on Al(111)MOLA, E. E; RANEA, V. A; VICENTE, J. L et al.Surface science. 1998, Vol 418, Num 2, pp 367-375, issn 0039-6028Article

Conformations and electronic structure of fullerene C₂₄ and C₂₆ moleculesBALEVICIUS, L. M; STUMBRYS, E; TAMULIS, A et al.Fullerene science and technology. 1997, Vol 5, Num 1, pp 85-96, issn 1064-122XArticle