Computations of intermolecular interacti
✍
N. Gresh; P. Claverie; A. Pullman
📂
Article
📅
1982
🏛
John Wiley and Sons
🌐
English
⚖ 874 KB
## Abstract A procedure is given to derive an explicit charge‐transfer contribution from the Murrell–Randic–Williams formula, and to implement it in the framework of an additive procedure for the computation of intermolecular interaction energies, as a sum of electrostatic, repulsion, polarization,