Year 1998
- J. N. Harvey, M. Aschi, H. Schwarz and W. Koch The Singlet and Triplet State of Phenyl Cation. A Hybrid Approach for Locating Minimum Energy Crossing Points between Non-interacting Potential Energy Surfaces. Theor. Chem. Acc. (Theor. Chim. Acta), 99, 95, (1998).
- L. D. Creveld, A. Amadei, R. C. van Schaik, H. A. M. Pepermans, J. de Vlieg and H. J. C. Berendsen Identification of functional and unfolding movements of cutinase as obtained from molecular dynamics computer simulations. Proteins: Structure, Function, and Genetics, 33, 253-264 (1998).
- B. L. de Groot, S. Hayward, D. M. F. van Aalten, A. Amadei and . J. C. Berendsen Domain motions in Bacteriophage T4 Lysozyme; a comparison between molecular dynamics and crystallographic data. Proteins: Structure, Function, and Genetics, 31, 116-127 (1998).
- M. E. F. Apol, A. Amadei and H. J. C. Berendsen On the use of the quasi-Gaussian entropy theory in non-canonical ensembles. II. Density dependence of thermodynamic properties. J. Chem. Phys., 109, 3017-3027 (1998).
- A. Amadei, M. E. F. Apol and H. J. C. Berendsen On the use of the quasi-Gaussian entropy theory in non-canonical ensembles. I. Temperature dependence of thermodynamic properties. J. Chem. Phys., 109(8), 3004-3016 (1998).
- D. Roccatano, A. Amadei, M. E. F. Apol, A. Di Nola and H.J. C. Berendsen Application of the quasi-Gaussian entropy theory to molecular dynamics simulations of Lennard-Jones fluids. J. Chem Phys. 109, 6358-6363 (1998).
- M. Aschi, J.N.Harvey, C.A. Schalley, D.Schröder and H. Schwarz. Reappraisal of the spin-forbidden unimolecular decay of the methoxy cation. Chem. Commun., 1998.
- D. Schröder, J.N. Harvey, M. Aschi and H. Schwarz. Experimental and computational study of neutral xenon halides (XeX) in the gas phase for X=F, Cl, Br and I. Journal of Chemical Physics, 108, 20 (1998).
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