1. Accurate energies calculated by empirical corrections to the local spin density approximation

   • René Fournier
   • Luba Boroukhovskaia

   OriginalPaper 08 March 2004 Pages: 1 - 6

2. Structural optimization of atomic clusters by tabu search in descriptor space

   • Joey Cheng
   • René Fournier

   OriginalPaper 17 March 2004 Pages: 7 - 15

3. A systematic theoretical investigation of the lowest valence- and Rydberg-excited singlet states of trans-butadiene. The character of the 1¹B_u (V) state revisited

   • Michal Dallos
   • Hans Lischka

   OriginalPaper 24 February 2004 Pages: 16 - 26

4. Theoretical studies on the molecular electron densities and electrostatic potentials in azacubanes

   • Ujwala N. Patil
   • Nilesh R. Dhumal
   • Shridhar P. Gejji

   OriginalPaper 16 March 2004 Pages: 27 - 32

5. The well-tempered model core potentials for the main-group elements Li–Rn

   • Jonathan Y. Mane
   • Mariusz Klobukowski

   OriginalPaper 24 February 2004 Pages: 33 - 39

6. An approach to reaction path branching using valley–ridge inflection points of potential-energy surfaces

   • Wolfgang Quapp
   • Michael Hirsch
   • Dietmar Heidrich

   OriginalPaper 04 March 2004 Pages: 40 - 51

7. The accuracy of hyperfine integrals in relativistic NMR computations based on the zeroth-order regular approximation

   • Jochen Autschbach

   OriginalPaper 17 March 2004 Pages: 52 - 57