1. A generalized Langevin dynamics approach to model solvent dynamics effects on proteins via a solvent-accessible surface. The carboxypeptidase A inhibitor protein as a model

   • Baldomero Oliva
   • Xavier Daura
   • O. Tapia

   Regular article Pages: 101 - 109

2. Analysis of fourth-order Møller–Plesset limit energies: the importance of three-electron correlation effects

   • Yuan He
   • Dieter Cremer

   Regular article Pages: 110 - 122

3. The Born closure approximation for the scattering amplitude of an electron-molecule collision

   • Yukikazu Itikawa

   Regular article Pages: 123 - 131

4. Spin-projected coupled-cluster theory with single and double excitations

   • Yuan He
   • Dieter Cremer

   Regular article Pages: 132 - 144

5. Following the streambed reaction on potential-energy surfaces: a new robust method

   • Wolfgang Quapp
   • Michael Hirsch
   • Dietmar Heidrich

   Original article Pages: 145 - 155

6. Vibrational and theoretical studies of urea and magnesium-urea complexes

   • S. G. Raptis
   • J. Anastassopoulou
   • T. Theophanides

   Regular article Pages: 156 - 164

7. On the convergence of FPT-DFT calculations of the Fermi contact contribution to NMR coupling constants

   • Juan E. Peralta
   • Martín C. Ruiz de Azúa
   • Rubén H. Contreras

   Letter Pages: 165 - 168

8. Inexpensive and accurate predictions of optical excitations in transition-metal complexes: the TDDFT/PBE0 route

   • Carlo Adamo
   • Vincenzo Barone

   Regular article Pages: 169 - 172