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2004
Mark Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
Schutz, M ; Werner, H J ; Lindh, Roland ^LU and Manby, F R (2004) In Journal of Chemical Physics 121(2). p.737-750
- Contribution to journal › Article
Mark Excitonic coupling in polythiophenes: Comparison of different calculation methods
Beenken, Wichard ^LU and Pullerits, Tönu ^LU (2004) In Journal of Chemical Physics 120(5). p.2490-2495
- Contribution to journal › Article
Mark A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes
Ghigo, Giovanni ^LU ; Roos, Björn ^LU ; Stancil, P C and Weck, P F (2004) In Journal of Chemical Physics 121(17). p.8194-8200
- Contribution to journal › Article
Mark Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene
Liu, Y.-J. ; Persson, Petter ^LU ; Karlsson, H. O. ; Lunell, S. ; Kadi, M. ; Karlsson, D. and Davidsson, J. (2004) In Journal of Chemical Physics 120(14). p.6502-6509
- Contribution to journal › Article
Mark Coupled folding-binding versus docking: A lattice model study
Gupta, N and Irbäck, Anders ^LU (2004) In Journal of Chemical Physics 120(8). p.3983-3989
- Contribution to journal › Article
Mark The size of neutral free clusters as manifested in the relative bulk-to-surface intensity in core level photoelectron spectroscopy
Tchaplyguine, Maxim ^LU ; Marinho, R ; Gisselbrecht, Mathieu ^LU ; Schulz, Joachim ^LU ; Mårtensson, Nils ^LU ; Ristinmaa Sörensen, Stacey ^LU ; de Brito, AN ; Feifel, R ; Ohrwall, G and Lundwall, M , et al. (2004) In Journal of Chemical Physics 120(1). p.345-356
- Contribution to journal › Article
Mark Interfacial properties of the nanostructured dye-sensitized solid heterojunction TiO2/RuL2(NCS)(2)/CuI
Karlsson, P G ; Bolik, S ; Richter, J H ; Mahrov, B ; Johansson, E M J ; Blomquist, Jakob ^LU ; Uvdal, Per ^LU ; Rensmo, H ; Siegbahn, H and Sandell, A (2004) In Journal of Chemical Physics 120(23). p.11224-11232
- Contribution to journal › Article
Mark Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions
Pedersen, Thomas ^LU ; Sánchez de Meras, A M J and Koch, H (2004) In Journal of Chemical Physics 120(19). p.8887-8897
- Contribution to journal › Article
2003
Mark Density functional studies of solvation forces in hard sphere polymer solutions confined between adsorbing walls. I. Solvent effects and dependence on surface potential range.
Forsman, Jan ^LU ; Woodward, C E and Freasier, B C (2003) In Journal of Chemical Physics 118(16). p.7672-7681
- Contribution to journal › Article
Mark A theoretical investigation of valence and Rydberg electronic states of acrolein
Aquilante, Francesco ^LU ; Barone, V and Roos, Björn ^LU (2003) In Journal of Chemical Physics 119(23). p.12323-12334
- Contribution to journal › Article

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