Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments von Bonacic-Koutecky, Vlasta, Fantucci, Piercarlo, Koutecky, Jaroslav

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Theoretical aspects of metal atom clusters von Koutecky, Jaroslav, Fantucci, Piercarlo

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Occupation numbers of natural orbitals as a criterion for biradical character. Different kinds of biradicals von Doehnert, Detlef, Koutecky, Jaroslav

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A theory of free radical reactions von Bonacic-Koutecky, Vlasta, Koutecky, Jaroslav, Salem, Lionel

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Contribution to the Theory of Alternant Systems von Koutecký, Jaroslav

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Ab initio CI study of chemical reactions of singlet and triplet imidogen (NH) radicals von Fueno, Takayuki, Bonacic-Koutecky, Vlasta, Koutecky, Jaroslav

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Ab initio configuration interaction study of mixed BeLik clusters (k=1-9) von PEWESTORF, W, BONACIC-KOUTECKY, V, KOUTECKY, J

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Unrestricted Hartree—Fock Calculations on Linear-Atomic-Chain Models Yielding the ``Surface'' (End) States von Koutecký, Jaroslav

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Some Consequences of the Nonlinearity of the Hartree-Fock Approach, Demonstrated on the Example of the PPP Model for Closed Shell Alternant Hydrocarbons von Bonačić, Vlasta, Koutecký, Jaroslav

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Direct minimization of the Hartree—Fock expectation value of the hamiltonian von Koutecky´, Jaroslav, Bonacˇic´-Koutecky´, Vlasta

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Neutral and Charged Biradicals, Zwitterions, Funnels in S1, and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision von Bonačić-Koutecký, Vlasta, Koutecký, Jaroslav, Michl, Josef

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Theoretical interpretation of the photoelectron detachment spectra of Na2-5- and of the absorption spectra of Na3, Na4, and Na8 clusters von BONACIC-KOUTECKY, V, FANTUCCI, P, KOUTECKY, J

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Alternancy symmetry: a unified viewpoint von KOUTECKY, J, PALDUS, J, CIZEK, J

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Theoretical interpretation of the photoelectron detachment spectra of Na−2–5 and of the absorption spectra of Na3, Na4, and Na8 clusters von Bonačić-Koutecký, Vlasta, Fantucci, Piercarlo, Koutecký, Jaroslav

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Possible reinterpretation of the Pariser-Parr-Pople theory von Koutecký, Jaroslav

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Some Properties of Semiempirical Hamiltonians von Koutecký, Jaroslav

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Silicon and germanium clusters: a theoretical study of their electronic structures and properties von PACCHIONI, G, KOUTECKY, J

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Theoretical study of the interaction of carbon monoxide with palladium clusters: relations between surface and organometallic chemistry von Pacchioni, Gianfranco, Koutecky, Jaroslav

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Correction for spherical diffusion to the Il'kovič equation von Koutecký, Jaroslav

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