1. Computational chemistry

   • Peter Schuster
   • Peter Wolschann

   Editorial 18 January 2008 Pages: III - IV

2. Computational Chemistry techniques: covering orders of magnitude in space, time, and accuracy

   • Alexander F. Sax

   Review 14 March 2008 Pages: 299 - 308

3. Accurate thermochemistry from quantum chemical calculations?

   • Walter M. F. Fabian

   Review 14 March 2008 Pages: 309 - 318

4. Quantum chemical calculations of electronically excited states: formamide, its protonated form and alkali cation complexes as case studies

   • Ivana Antol
   • Mario Barbatti
   • Hans Lischka

   OriginalPaper 14 March 2008 Pages: 319 - 328

5. Kolbe-Schmitt reaction of sodium 2-naphthoxide

   • Zoran Marković
   • Svetlana Marković
   • Igor Đurović

   OriginalPaper 14 March 2008 Pages: 329 - 335

6. Ruthenium-mediated C–C coupling reactions of alkynes – mechanistic investigations based on DFT calculations

   • Karl Kirchner

   OriginalPaper 14 March 2008 Pages: 337 - 348

7. Theoretical investigation (DFT and MP2) of the intermolecular proton transfer in the supersystems uracil-(H₂O) _n and uracil-(CH₃OH) _n (n = 1, 2)

   • Vassil B. Delchev
   • Ivan G. Shterev
   • Hans Mikosch

   OriginalPaper 14 March 2008 Pages: 349 - 362

8. Density functional calculations on cyclodextrins

   • Alfred Karpfen
   • Elisabeth Liedl
   • Peter Wolschann

   OriginalPaper 14 March 2008 Pages: 363 - 371

9. Adsorption and reaction of organic molecules on solid surfaces – ab-initio density functional investigations

   • Jürgen Hafner

   Review 14 March 2008 Pages: 373 - 387

10. First-principles approach to the understanding of π-conjugated organic semiconductors

    • Peter Puschnig
    • Claudia Ambrosch-Draxl

    OriginalPaper 14 March 2008 Pages: 389 - 399

11. Hydrophobic moments as physicochemical descriptors in structure-activity relationship studies of P-glycoprotein inhibitors

    • Gerhard König
    • Peter Chiba
    • Gerhard F. Ecker

    OriginalPaper 14 March 2008 Pages: 401 - 405

12. Quantitative structure – activity relationship studies on membrane receptors inhibition by antipsychotic drugs. Application to schizophrenia treatment

    • Speranta Avram
    • Heinz Berner
    • Peter Wolschann

    OriginalPaper 18 March 2008 Pages: 407 - 426

13. Modeling in biological chemistry. From biochemical kinetics to systems biology

    • Peter Schuster

    Review 14 March 2008 Pages: 427 - 446

14. Beyond energy minimization: approaches to the kinetic folding of RNA

    • Christoph Flamm
    • Ivo L. Hofacker

    Review 10 March 2008 Pages: 447 - 457