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Results: 1-3 |
Results: 3
Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene?
Authors: Mayor-Lopez, MJ Luthi, HP Koch, H Morgantini, PY Weber, J
Citation: Mj. Mayor-lopez et al., Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene?, J CHEM PHYS, 113(18), 2000, pp. 8009-8014
Binding of organic cations to a cyclophane host as studied with molecular dynamics simulations and free energy calculations
Authors: Eriksson, MAL Morgantini, PY Kollman, PA
Citation: Mal. Eriksson et al., Binding of organic cations to a cyclophane host as studied with molecular dynamics simulations and free energy calculations, J PHYS CH B, 103(21), 1999, pp. 4474-4480
Theoretical investigation of the adsorption of methanol on the (110) surface of gamma-alumina
Authors: De Vito, DA Gilardoni, F Kiwi-Minsker, L Morgantini, PY Porchet, S Renken, A Weber, J
Citation: Da. De Vito et al., Theoretical investigation of the adsorption of methanol on the (110) surface of gamma-alumina, THEOCHEM, 469, 1999, pp. 7-14
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