Article ID Journal Published Year Pages File Type
5380542 Chemical Physics Letters 2014 5 Pages PDF
Abstract

- We discuss APH coordinates in comparison with other coordinate systems.
- We developed an application to facilitate the understanding of APH coordinates.
- User could simply drag any atom and observe changes of the coordinates.
- Pseudo-rotation motion is reproduced by our application.
- This application will be very helpful for graduate students and postdocs.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Interactive tool for visualization of adiabatic adjustment in APH coordinates for computational studies of vibrational motion and chemical reactions
Authors
, ,