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Multiterminal junctions formed by heating ultrathin single-walled carbon nanotubesMENG, F. Y; SHI, S. Q; XU, D. S et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 12, pp 125418.1-125418.6, issn 1098-0121Article

C₆₀(NO₂)₂ : Quantum-chemical evaluations of structure, energetics, and vibrational spectraSLANINA, Z; SUGIKI, T; XIANG ZHAO et al.Fullerene science and technology. 2000, Vol 8, Num 4-5, pp 351-367, issn 1064-122XArticle

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Inclusion complex of astaxanthin with hydroxypropyl-β-cyclodextrin: UV, FTIR, ¹H NMR and molecular modeling studiesCHAO YUAN; ZHENGYU JIN; XUEMING XU et al.Carbohydrate polymers. 2012, Vol 89, Num 2, pp 492-496, issn 0144-8617, 5 p.Article

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Evaluation of PM3 calculations applied to organotin compounds: crystal structure of [Ph₂SnCl₂ (1,10-phenanthroline-5,6-dione)].2Me₂CODE ALENCASTRO, Ricardo Bicca; BOMFIM, Joao A. S; FILGUEIRAS, Carlos A. L et al.Applied organometallic chemistry. 2005, Vol 19, Num 4, pp 479-487, issn 0268-2605, 9 p.Article

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Disordered chain conformations of poly(tetrafluoroethylene) in the high-temperature crystalline form ID'AMORE, Maddalena; AURIEMMA, Finizia; DE ROSA, Claudio et al.Macromolecules. 2004, Vol 37, Num 25, pp 9473-9480, issn 0024-9297, 8 p.Article

Estimating the activation energy for hydrogen abstraction reactions by a combination of semiempirical calculation and family correlationXIAOLIANG MA; SCHOBERT, Harold H.Industrial & engineering chemistry research. 2001, Vol 40, Num 3, pp 743-750, issn 0888-5885Article

Semiempirical calculations on heterofullerene C₅₉Si: structural and electronic localizationJING LU; YIN LUO; YUANHE HUANG et al.Solid state communications. 2001, Vol 118, Num 6, pp 309-312, issn 0038-1098Article

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Calculations of the electronic structure of substituted indoles and prediction of their oxidation potentialsKETTLE, L. J; BATES, S. P; MOUNT, A. R et al.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 2, pp 195-201, issn 1463-9076Article

A semiempirical molecular orbital study on the reaction of an aminopyrazolinyl azo dye with singlet molecular oxygenMORITA, Z; HADA, S.Dyes and pigments. 1999, Vol 41, Num 1-2, pp 1-10, issn 0143-7208Article

Structural transformations of phosphosilicate glass under UV irradiationDIANOV, E. M; KOLTASHEV, V. V; PLOTNICHENKO, V. G et al.Glass physics and chemistry. 1998, Vol 24, Num 6, pp 490-500, issn 1087-6596Article

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

Lithium-cation and proton affinities of sulfoxides and sulfones : A Fourier transform ion cyclotron resonance studyBUNCEL, E; DECOUZON, M; FORMENTO, A et al.Journal of the American Society for Mass Spectrometry. 1997, Vol 8, Num 3, pp 262-269, issn 1044-0305Article

An elongation method to calculate the electronic structure of non-periodical and periodical polymersIMAMURA, A; AOKI, Y.Advances in colloid and interface science. 1997, Vol 71-72, pp 147-164, issn 0001-8686Article

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Semiempirical calculations of the ESCA chemical shifts of nitrogen atoms in a chemical environment : failure of the PM3 and AM1 methodsMAKSIC, Z. B; KOVACEK, D; KOVACEVIC, K et al.Journal of molecular structure. Theochem. 1994, Vol 304, Num 2, pp 151-161, issn 0166-1280Article

Semiempirical study of the conformation of tetroxane and its halogenated derivativesJORGE, N; PERUCHENA, N; CAFFERATA, L et al.Journal of molecular structure. Theochem. 1994, Vol 309, Num 3, pp 315-324, issn 0166-1280Article

Electrophilic reaction of phenyl bis(phenylthio) sulfonium cation as an active species for the oxidative polymerization of diphenyl disulfideTSUCHIDA, E; YAMAMOTO, K; SHOUJI, E et al.Journal of macromolecular science. Pure and applied chemistry. 1994, Vol 31, Num 11, pp 1579-1589, issn 1060-1325Conference Paper