Computational studies of the interactions between emeraldine and palladium atomBIALEK, Beata.Surface science. 2006, Vol 600, Num 8, pp 1679-1683, issn 0039-6028, 5 p.Conference Paper

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A crystal-orbital calculation on three-dimensional crystal of TTF-TCNQSTARIKOV, E. B.Solid state communications. 1994, Vol 91, Num 1, pp 45-47, issn 0038-1098Article

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Transition probabilities of forbidden lines in Pb IHORODECKI, P; KWELA, J; SIENKIEWICZ, J. E et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 1999, Vol 6, Num 4, pp 435-440, issn 1434-6060Article

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Effect of anion relaxation on charge transfer processes in organic conductorsCASTET, F; DUCASSE, L; FRITSCH, A et al.Synthetic metals. 1999, Vol 103, Num 1-3, pp 1799-1800, issn 0379-6779Conference Paper

Electronic structure of β-Be₃N₂REYES-SERRATO, A; SOTO, G; GAMIETEA, A et al.The Journal of physics and chemistry of solids. 1998, Vol 59, Num 5, pp 743-746, issn 0022-3697Article

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Effects of valence-valence, core-valence and core-core correlations on the fine-structure energy levels in Zn-like ionsHU, F; JIANG, G; YANG, J. M et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2011, Vol 61, Num 1, pp 15-20, issn 1434-6060, 6 p.Article

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Hydrogen molecule in group IV element crystalNAKAMURA, K. G; ISHIOKA, K; KITAJIMA, M et al.Japanese journal of applied physics. 1997, Vol 36, Num 11B, pp L1479-L1480, issn 0021-4922, 2Article

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Charlotte Froese Fischer: some personal reflectionsHIBBERT, A.Computer physics communications. 2001, Vol 138, Num 1, pp 2-9, issn 0010-4655Article

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