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Results 1 to 25 of 581

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Application of the Reactivity Index to Propose Intra and Intermolecular Reactivity in Catalytic MaterialsCHATTERJEE, Abhijit.Lecture notes in computer science. 2006, pp 77-81, issn 0302-9743, isbn 3-540-34379-2, 5 p.Conference Paper

The natural orbital functional theory of the bonding in Cr2, Mo2 and W2RUIPEREZ, F; PIRIS, M; UGALDE, J. M et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 6, pp 2055-2062, issn 1463-9076, 8 p.Article

Functional equations in shostak theoriesSHLEPAKOV, Sergey P.Lecture notes in computer science. 2006, pp 346-351, issn 0302-9743, isbn 3-540-34166-8, 1Vol, 6 p.Conference Paper

Electrical potential in a cylindrical double layer: a functional theory approachSHIOJENN TSENG; JIANG, Ji-Ming; HSU, Jyh-Ping et al.Journal of colloid and interface science. 2004, Vol 273, Num 1, pp 218-223, issn 0021-9797, 6 p.Article

The evaluation of the surface heterogeneity of carbon blacks from the lattice density functional theoryKOWALCZYK, Piotr; KANEKO, Katsumi; TERZYK, Artur P et al.Carbon (New York, NY). 2004, Vol 42, Num 8-9, pp 1813-1823, issn 0008-6223, 11 p.Article

Une version fonctionnelle du théoréme ergodique ponctuel = Functional version of the pointwise ergodic theoremWEBER, M.Comptes rendus de l'Académie des sciences. Série 1, Mathématique. 1990, Vol 311, Num 2, pp 131-133, issn 0764-4442, 3 p.Article

Kripke-style models for typed lambda calculusMITCHELL, J. C; MOGGI, E.Annals of pure and applied logic. 1991, Vol 51, Num 1-2, pp 99-124, issn 0168-0072, 26 p.Conference Paper

Adsorption properties of hydrogen on (10,0) single-walled carbon nanotube through density functional theorySANG SOO HAN; HYUCK MO LEE.Carbon (New York, NY). 2004, Vol 42, Num 11, pp 2169-2177, issn 0008-6223, 9 p.Article

Rebuilding a tree from its traversals: A case study of program inversionMU, Shin-Cheng; BIRD, Richard.Lecture notes in computer science. 2003, pp 265-282, issn 0302-9743, isbn 3-540-20536-5, 18 p.Conference Paper

Limitations of the Derjaguin Approximation and the Lorentz-Berthelot Mixing RuleFORSMAN, Jan; WOODWARD, Clifford E.Langmuir. 2010, Vol 26, Num 7, pp 4555-4558, issn 0743-7463, 4 p.Article

Density functional theory in periodic systems using local Gaussian basis setsTOWLER, M. D; ZUPAN, A; CAUSA, M et al.Computer physics communications. 1996, Vol 98, Num 1-2, pp 181-205, issn 0010-4655Article

Functional research on deviance: a critical analysis and guide for the futureJENSEN, G. F.Deviant behavior. 1988, Vol 9, Num 1, pp 1-17, issn 0163-9625Article

Density Functional Theory Study of the Binding of Glycine, Proline, and Hydroxyproline to the Hydroxyapatite (0001) and (0110) SurfacesALMORA-BARRIOS, Neyvis; AUSTEN, Kat F; DE LEEUW, Nora H et al.Langmuir. 2009, Vol 25, Num 9, pp 5018-5025, issn 0743-7463, 8 p.Article

Bounded queries to SAT and the Boolean hierarchyBEIGEL, R.Theoretical computer science. 1991, Vol 84, Num 2, pp 199-223, issn 0304-3975Article

A DFT Study on the Interactions between Sulfolane and Aromatic HydrocarbonsNI, Bang-Qing; SHAN, Yan-Yan; WANG, Hai-Jun et al.Journal of solution chemistry. 2008, Vol 37, Num 10, pp 1343-1354, issn 0095-9782, 12 p.Article

Density functional theory model of adsorption on amorphous and microporous solidsRAVIKOVITCH, Peter I; NEIMARK, Alexander V.Studies in surface science and catalysis. 2006, pp 9-16, issn 0167-2991, isbn 0-444-52022-8, 8 p.Conference Paper

Ab initio Study of Chiral Recognition of β-Butyrolactone by CyclodextrinsPARASUK, Waraporn; PARASUK, Vudhichai.Lecture notes in computer science. 2006, pp 136-142, issn 0302-9743, isbn 3-540-34379-2, 7 p.Conference Paper

Description of capillary-gravity waves within the framework of density functional theoryDINARIEV, O. Yu.Fluid dynamics. 1999, Vol 34, Num 5, pp 729-734, issn 0015-4628Article

Sur l'approximation des réduites = On the approximation of optimal stopping problemsLAMBERTON, D; PAGES, G.Annales de l'I.H.P. Probabilités et statistiques. 1990, Vol 26, Num 2, pp 331-355, issn 0246-0203Article

Ab initio density functional studies of the restructuring of graphene nanoribbons to form tailored single walled carbon nanotubesSAXENA, Sumit; TYSON, Trevor A.Carbon (New York, NY). 2010, Vol 48, Num 4, pp 1153-1158, issn 0008-6223, 6 p.Article

Mathematical quotients and quotient types in CoqCHICLI, Laurent; POTTIER, Loic; SIMPSON, Carlos et al.Lecture notes in computer science. 2003, pp 95-107, issn 0302-9743, isbn 3-540-14031-X, 13 p.Conference Paper

L'approche fonctionnelle des buts : Buts et perspective future = The functional approach of goalsKREITLER, S; KREITLER, H.Revue québécoise de psychologie. 1993, Vol 14, Num 2, pp 85-113, issn 0225-9885Article

A model-based approach to the automation of failure mode effects analysis for designPRICE, C. J; HUNT, J. E; LEE, M. H et al.Proceedings of the Institution of Mechanical Engineers. Part D, Journal of automobile engineering. 1992, Vol 206, Num 4, pp 285-291, issn 0954-4070Article

Dense inhomogeneous fluids : functional perturbation theory, the generalized Langevin equation, and kinetic theoryPOZHAR, L. A; GUBBINS, K. E.The Journal of chemical physics. 1991, Vol 94, Num 2, pp 1367-1384, issn 0021-9606, 18 p.Article

Improved hardness parameters for moleculesCHATTARAJ, P. K; NANDI, P. K; SANNIGRAHI, A. B et al.Proceedings of the Indian Academy of Sciences. Chemical sciences. 1991, Vol 103, Num 4, pp 583-589, issn 0253-4134Article

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