Mechanism and control of molecular energy flow: a modeling perspective Martin Gruebele Feature article Pages: 53 - 63
The role of theory in the laboratory control of quantum dynamics phenomena Herschel Rabitz Feature article Pages: 64 - 70
Continuum solvation of large molecules described by QM/MM: a semi-iterative implementation of the PCM/EFP interface Hui LiChristian S. PomelliJan H. Jensen Regular Article Pages: 71 - 84
Correlating basis sets for the H atom and the alkali-metal atoms from Li to Rb Takeshi NoroMasahiro SekiyaToshikatsu Koga Regular article Pages: 85 - 90
Physical analysis of the diatomic “chemical” energy components A. HamzaI. Mayer Regular article Pages: 91 - 98