Catalytic properties of small ruthenium particles deposited on carbon: Ammonia decomposition studies von Raróg-Pilecka, W, Szmigiel, D, Komornicki, A, Zieliński, J, Kowalczyk, Z

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Use of approximate integrals in ab initio theory. An application in MP2 energy calculations von Feyereisen, Martin, Fitzgerald, George, Komornicki, Andrew

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Catalytic properties of small ruthenium particles deposited on carbon von Raróg-Pilecka, W, Szmigiel, D, Komornicki, A, Zieliński, J, Kowalczyk, Z

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Europa XXI 14 (2006)

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Europe XXI 13 (2005)

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Europe XXI 12 (2005)

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Europe XXI 15 (2006)

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Molecular gradients and hessians implemented in density functional theory von KOMORNICKI, A, FITZGERALD, G

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Europe XXI 7 (2002)

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Analytic computation of energy derivatives - Relationships among partial derivatives of a variationally determined function von King, H. F., Komornicki, A.

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Rapid geometry optimization for semi-empirical molecular orbital methods von McIver, J.W., Komornicki, A.

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Energetics of the protonation of CO - Implications for the observation of HOC(+) in dense interstellar clouds von Dixon, D., Komornicki, A., Kraemer, W. P.

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Ab initio prediction of the barrier height for abstraction of H from CH4 by OH von DOBBS, K. D, DIXON, D. A, KOMORNICKI, A

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A theoretical study of Na(H2O)n(+) (n = 1-4) von Bauschlicher, Charles W., Jr, Langhoff, Stephen R., Partridge, Harry, Rice, Julia E., Komornicki, Andrew

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The proton affinity of N2 and spectroscopic properties of N2H von KRAEMER, W. P, KOMORNICKI, A, DIXON, D. A

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Rocznik Podhalański. T. 5 (1992)

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Conformational properties, torsional potential, and vibrational force field for methacryloyl fluoride - An ab initio investigation von Laskowski, B. C., Jaffe, R. L., Komornicki, A.

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Ab initio infrared and Raman spectra von Fredkin, D. R., White, S. R., Wilson, K. R., Komornicki, A.

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A parallel vectorized implementation of triple excitations in CCSD(T) - Application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers von Rendell, Alistair P., Lee, Timothy J., Komornicki, Andrew

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Ab initio structure, force constants, and vibrational frequencies of methylsilane and silane von Komornicki, Andrew

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