Article ID Journal Published Year Pages File Type
5389396 Chemical Physics Letters 2007 5 Pages PDF
Abstract
By using the first-order moment of the integral, a new population analysis is developed. The analysis computes the gross charge population that exactly reproduces total dipole moment of linear molecules.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A new population analysis: Dipole-moment-conserving charge-set
Authors
, ,