Computational Chemistry, Science Web Directory, Technology, Chemistry, Biotechnology and Environment.

Directory Listing(s)

Agrafiotis, Dimitris K.
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.

Computer Aided Drug Design
With the mission of extending and supporting the computer aided rational drug design, discovery and development studies in Turkey.

First Principles Research
Ab initio quantum chemistry and computational studies of superconductors.

First Principles Research, Inc.
Research Theorists in Physics and Chemistry.

GROMACS
GROMACS is a molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. It is a free software.

MatHub
Features current and background information about molecular modeling and informatics for chemistry and materials science.

Molecular Modeling
Links to information on chemical structures, graphics, slide shows, and modeling experiments.

Photochemical Hydrogen Tunneling
photochemical hydrogen tunneling in acridine doped fluorene crystal. Measurement of pressure and temperature dependence of the reaction rate.