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Publisher: Taylor and Francis Ltd

Volume 77, Numbers 1-2, Numbers 1-2/January-February 2004

Guest Editor's Note
pp. 1-1(1)

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Measuring and modelling dynamical changes in the structure of photoactive yellow protein
pp. 3-20(18)
Authors: Vreede, Jocelyne; Van Der Horst, Michael A.; Kort, Remco; Crielaard, Wim; Hellingwerf, Klaas J.

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X-ray crystallography of rhodopsin
pp. 21-29(9)
Authors: Okada, Tetsuji; Nakamichi, Hitoshi

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Ab initio, tight-binding and QM/MM calculations of the rhodopsin chromophore in its binding pocket
pp. 31-45(15)
Authors: Sugihara, M.; Buss, V.; Entel, P.; Hafner, J.; Bondar, A.N.; Elstner, M.; Frauenheim, T.

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Can coordinate driving describe proton transfer coupled to complex protein motions?
pp. 47-52(6)
Authors: Bondar, N.; Fischer, S.; Smith, J.C.; Suhai, S.; Elstner, M.

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Determination of melting of water clusters using density functional theory
pp. 63-79(17)
Authors: Adeagbo, W.A.; Entel, P.

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NMR study on colloidal magnetic fluids of various viscosities
pp. 81-87(7)
Authors: Terheiden, A.; Mayer, C.

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Molecular-dynamics study of the local symmetry changes in metallic liquids
pp. 89-100(12)
Authors: Kreth, M.; Entel, P.; Kadau, K.; Meyer, R.

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Modeling free and supported metallic nanoclusters: structure and dynamics
pp. 101-113(13)
Authors: Mottet, C.; Goniakowski, J.; Baletto, F.; Ferrando, R.; Treglia, G.

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Iron-atom condensation interpreted by a kinetic model and a nucleation model approach
pp. 115-129(15)
Authors: Giesen, A.; Kowalik, A.; Roth, P.

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Preparation of luminescent silicon nanoparticles by photothermal aerosol synthesis followed by acid etching
pp. 131-137(7)
Authors: Li, X.; He, Y.; Talukdar, S.S.; Swihart, M.T.

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Interaction of atomic hydrogen with silane molecules
pp. 139-147(9)
Authors: Rollmann, G.; Entel, P.

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Ab initio Simulations of Fe and TiC clusters
pp. 149-159(11)
Authors: Postnikov, A.V.; Entel, P.

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Ferroelectricity at molecular level
pp. 161-173(13)
Authors: Blinov, L.; Bune, A.; Dawben, P.; Ducharme, S.; Fridkin, V.; Palto, S.; Verkhovskaya, K.; Vizdrik, G.; Yudin, S.

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Towards a theory of electrical transport through atomic and molecular junctions
pp. 175-189(15)
Authors: Cuevas, J.C.; Heurich, J.; Pauly, F.; Wenzel, W.; Schön, Gerd

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CPP transport in Fe/Cr/Fe trilayers with mn impurities: an ab initio study
pp. 191-200(10)
Authors: Herper, H.C.; Entel, P.; Szunyogh, L.; Weinberger, P.

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Structural, electrical and magnetic properties of granular Co0.5 C0.5 Films
pp. 201-215(15)
Authors: Weinforth, H.; Carl, A.; Wassermann, E.F.

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Magneto-thermal behavior of a granular FeCl2-Fe heterostructure
pp. 217-224(8)
Authors: Sahoo, S.; Binek, C.; Kleemann, W.

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Thermoelectric figure of merit of a material with caged structure and rattler atoms
pp. 225-240(16)
Authors: Behera, S.N.; Bose, S.M.; Entel, P.; Schick, J.T.

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Dynamical properties of Ni2MnGa determined from density functional calculations
pp. 253-259(7)
Authors: Zayak, A.; Entel, P.; Buchelnikov, V.D.

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